PubChemLite - 7-methyl-2-(4-morpholinyl)-3-{(z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one (C25H24N4O3S2)

Structural Information

Molecular Formula

SMILES

CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCOCC5)C=C1

InChI

InChI=1S/C25H24N4O3S2/c1-17-7-8-21-26-22(27-11-13-32-14-12-27)19(23(30)29(21)16-17)15-20-24(31)28(25(33)34-20)10-9-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/b20-15-

InChIKey

HFCOJAPYNVMCAA-HKWRFOASSA-N

Compound name

(5Z)-5-[(7-methyl-2-morpholin-4-yl-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]+	493.13628	213.1
[M+Na]+	515.11822	227.6
[M+NH4]+	510.16282	219.1
[M+K]+	531.09216	217.5
[M-H]-	491.12172	219.9
[M+Na-2H]-	513.10367	218.5
[M]+	492.12845	218.0
[M]-	492.12955	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.13628

213.1

[M+Na]+

515.11822

227.6

[M+NH4]+

510.16282

219.1

[M+K]+

531.09216

217.5

[M-H]-

491.12172

219.9

[M+Na-2H]-

513.10367

218.5

[M]+

492.12845

218.0

[M]-

492.12955

218.0

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

7-methyl-2-(4-morpholinyl)-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

Patent stripe