CID 1902229

372499-71-3

Structural Information

Molecular Formula
C16H14N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)NC(=S)S3)NCC=C
InChI
InChI=1S/C16H14N4O2S2/c1-3-6-17-12-10(8-11-14(21)19-16(23)24-11)15(22)20-7-4-5-9(2)13(20)18-12/h3-5,7-8,17H,1,6H2,2H3,(H,19,21,23)/b11-8-
InChIKey
AQEUNUMFCNNMOF-FLIBITNWSA-N
Compound name
(5Z)-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

2
References

0
Patents

358.05582 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06310 183.2
[M+Na]+ 381.04504 194.4
[M+NH4]+ 376.08964 188.9
[M+K]+ 397.01898 185.6
[M-H]- 357.04854 184.7
[M+Na-2H]- 379.03049 185.6
[M]+ 358.05527 185.8
[M]- 358.05637 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.