CID 1315657

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

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4
InChI
InChI=1S/C19H20N4O2S2/c1-20-16-13(17(24)22-10-6-5-9-15(22)21-16)11-14-18(25)23(19(26)27-14)12-7-3-2-4-8-12/h5-6,9-12,20H,2-4,7-8H2,1H3/b14-11-
InChIKey
CFOHBZXOQXQXHY-KAMYIIQDSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(methylamino)-4-oxopyrido[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

400.10278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 192.0
[M+Na]+ 423.09200 200.3
[M-H]- 399.09550 197.8
[M+NH4]+ 418.13660 202.6
[M+K]+ 439.06594 191.7
[M+H-H2O]+ 383.10004 184.1
[M+HCOO]- 445.10098 197.8
[M+CH3COO]- 459.11663 199.9
[M+Na-2H]- 421.07745 188.5
[M]+ 400.10223 190.0
[M]- 400.10333 190.0
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.