PubChemLite - 3-[(z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(propylamino)-4h-pyrido[1,2-a]pyrimidin-4-one (C19H22N4O2S2)

Structural Information

Molecular Formula

SMILES

CCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C\3/C(=O)N(C(=S)S3)C(C)C

InChI

InChI=1S/C19H22N4O2S2/c1-5-8-20-15-13(10-14-18(25)23(11(2)3)19(26)27-14)17(24)22-9-6-7-12(4)16(22)21-15/h6-7,9-11,20H,5,8H2,1-4H3/b14-10-

InChIKey

QZPIYKYDKJBZGN-UVTDQMKNSA-N

Compound name

(5Z)-5-[[9-methyl-4-oxo-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-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]+	403.12568	193.5
[M+Na]+	425.10762	203.4
[M-H]-	401.11112	197.3
[M+NH4]+	420.15222	204.8
[M+K]+	441.08156	195.1
[M+H-H2O]+	385.11566	186.4
[M+HCOO]-	447.11660	200.6
[M+CH3COO]-	461.13225	225.4
[M+Na-2H]-	423.09307	188.7
[M]+	402.11785	197.6
[M]-	402.11895	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.12568

193.5

[M+Na]+

425.10762

203.4

[M-H]-

401.11112

197.3

[M+NH4]+

420.15222

204.8

[M+K]+

441.08156

195.1

[M+H-H2O]+

385.11566

186.4

[M+HCOO]-

447.11660

200.6

[M+CH3COO]-

461.13225

225.4

[M+Na-2H]-

423.09307

188.7

[M]+

402.11785

197.6

[M]-

402.11895

197.6

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

3-[(z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(propylamino)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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