CID 5766161

361995-00-8

Structural Information

Molecular Formula
C23H28N4O3S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC(C)C
InChI
InChI=1S/C23H28N4O3S2/c1-13(2)10-27-22(29)18(32-23(27)31)9-17-20(25-11-15(4)30-16(5)12-25)24-19-14(3)7-6-8-26(19)21(17)28/h6-9,13,15-16H,10-12H2,1-5H3/b18-9-
InChIKey
WWKMLQYDPQNIEK-NVMNQCDNSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.16028 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16756 213.2
[M+Na]+ 495.14950 222.3
[M-H]- 471.15300 218.8
[M+NH4]+ 490.19410 219.1
[M+K]+ 511.12344 215.0
[M+H-H2O]+ 455.15754 205.5
[M+HCOO]- 517.15848 213.8
[M+CH3COO]- 531.17413 219.8
[M+Na-2H]- 493.13495 204.4
[M]+ 472.15973 215.8
[M]- 472.16083 215.8
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.