CID 1417248

380583-16-4

Structural Information

Molecular Formula
C20H22N4O3S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)N4CCOCC4)C=C1
InChI
InChI=1S/C20H22N4O3S2/c1-12(2)24-19(26)15(29-20(24)28)10-14-17(22-6-8-27-9-7-22)21-16-5-4-13(3)11-23(16)18(14)25/h4-5,10-12H,6-9H2,1-3H3/b15-10-
InChIKey
OUBCQJAHNPLYKU-GDNBJRDFSA-N
Compound name
(5Z)-5-[(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.11334 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12062 200.0
[M+Na]+ 453.10256 212.2
[M+NH4]+ 448.14716 205.7
[M+K]+ 469.07650 204.3
[M-H]- 429.10606 204.1
[M+Na-2H]- 451.08801 202.2
[M]+ 430.11279 203.7
[M]- 430.11389 203.7
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.