CID 1982853

442552-51-4

Structural Information

Molecular Formula
C20H22N4O3S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCOCC4)/SC1=S
InChI
InChI=1S/C20H22N4O3S2/c1-13(2)12-24-19(26)15(29-20(24)28)11-14-17(22-7-9-27-10-8-22)21-16-5-3-4-6-23(16)18(14)25/h3-6,11,13H,7-10,12H2,1-2H3/b15-11-
InChIKey
OPJQMWLAAYPKIV-PTNGSMBKSA-N
Compound name
(5Z)-3-(2-methylpropyl)-5-[(2-morpholin-4-yl-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

430.11334 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12062 198.7
[M+Na]+ 453.10256 210.5
[M+NH4]+ 448.14716 204.3
[M+K]+ 469.07650 202.5
[M-H]- 429.10606 202.6
[M+Na-2H]- 451.08801 201.1
[M]+ 430.11279 202.2
[M]- 430.11389 202.2
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.