CID 1902229

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

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 180.9
[M+Na]+ 381.04504 191.8
[M-H]- 357.04854 183.6
[M+NH4]+ 376.08964 193.1
[M+K]+ 397.01898 182.0
[M+H-H2O]+ 341.05308 174.3
[M+HCOO]- 403.05402 188.9
[M+CH3COO]- 417.06967 190.1
[M+Na-2H]- 379.03049 178.5
[M]+ 358.05527 181.8
[M]- 358.05637 181.8
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.