PubChemLite - 2-(ethylamino)-3-{(z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one (C22H20N4O2S2)

Structural Information

Molecular Formula

SMILES

CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-2-23-19-16(20(27)25-12-7-6-10-18(25)24-19)14-17-21(28)26(22(29)30-17)13-11-15-8-4-3-5-9-15/h3-10,12,14,23H,2,11,13H2,1H3/b17-14-

InChIKey

ILAUYRMNMIOCSP-VKAVYKQESA-N

Compound name

(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.11006	202.0
[M+Na]+	459.09200	211.9
[M-H]-	435.09550	208.6
[M+NH4]+	454.13660	211.3
[M+K]+	475.06594	201.9
[M+H-H2O]+	419.10004	193.4
[M+HCOO]-	481.10098	211.0
[M+CH3COO]-	495.11663	210.2
[M+Na-2H]-	457.07745	199.7
[M]+	436.10223	204.7
[M]-	436.10333	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.11006

202.0

[M+Na]+

459.09200

211.9

[M-H]-

435.09550

208.6

[M+NH4]+

454.13660

211.3

[M+K]+

475.06594

201.9

[M+H-H2O]+

419.10004

193.4

[M+HCOO]-

481.10098

211.0

[M+CH3COO]-

495.11663

210.2

[M+Na-2H]-

457.07745

199.7

[M]+

436.10223

204.7

[M]-

436.10333

204.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(ethylamino)-3-{(z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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