CID 5926576

2-(allylamino)-9-methyl-3-{(z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C24H22N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)NCC=C
InChI
InChI=1S/C24H22N4O2S2/c1-4-12-25-20-18(22(29)27-13-8-9-15(2)21(27)26-20)14-19-23(30)28(24(31)32-19)16(3)17-10-6-5-7-11-17/h4-11,13-14,16,25H,1,12H2,2-3H3/b19-14-
InChIKey
BNOWUPJMKHRLTB-RGEXLXHISA-N
Compound name
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1184 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12568 208.9
[M+Na]+ 485.10762 221.9
[M+NH4]+ 480.15222 214.7
[M+K]+ 501.08156 211.8
[M-H]- 461.11112 213.3
[M+Na-2H]- 483.09307 213.9
[M]+ 462.11785 212.8
[M]- 462.11895 212.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.