CID 1910635

361995-48-4

Structural Information

Molecular Formula
C17H16N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C)NCC=C
InChI
InChI=1S/C17H16N4O2S2/c1-4-7-18-13-11(9-12-16(23)20(3)17(24)25-12)15(22)21-8-5-6-10(2)14(21)19-13/h4-6,8-9,18H,1,7H2,2-3H3/b12-9-
InChIKey
XFENFKZJYQCHDE-XFXZXTDPSA-N
Compound name
(5Z)-3-methyl-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

372.07147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07875 185.6
[M+Na]+ 395.06069 197.1
[M-H]- 371.06419 189.7
[M+NH4]+ 390.10529 198.1
[M+K]+ 411.03463 188.0
[M+H-H2O]+ 355.06873 178.7
[M+HCOO]- 417.06967 194.5
[M+CH3COO]- 431.08532 218.1
[M+Na-2H]- 393.04614 182.3
[M]+ 372.07092 188.8
[M]- 372.07202 188.8
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.