CID 1905897

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

Structural Information

Molecular Formula
C23H20N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCC=C
InChI
InChI=1S/C23H20N4O2S2/c1-3-11-24-19-17(21(28)26-12-7-8-15(2)20(26)25-19)13-18-22(29)27(23(30)31-18)14-16-9-5-4-6-10-16/h3-10,12-13,24H,1,11,14H2,2H3/b18-13-
InChIKey
MKULYBRWXCBZOC-AQTBWJFISA-N
Compound name
(5Z)-3-benzyl-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10278 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11006 205.8
[M+Na]+ 471.09200 219.5
[M+NH4]+ 466.13660 211.9
[M+K]+ 487.06594 208.7
[M-H]- 447.09550 210.5
[M+Na-2H]- 469.07745 211.2
[M]+ 448.10223 209.9
[M]- 448.10333 209.9
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.