CID 1911102

374614-14-9

Structural Information

Molecular Formula
C20H23N5O3S2
SMILES
CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCOC
InChI
InChI=1S/C20H23N5O3S2/c1-22-7-9-23(10-8-22)17-14(18(26)24-6-4-3-5-16(24)21-17)13-15-19(27)25(11-12-28-2)20(29)30-15/h3-6,13H,7-12H2,1-2H3/b15-13-
InChIKey
YLBASFVEVSCFHT-SQFISAMPSA-N
Compound name
(5Z)-3-(2-methoxyethyl)-5-[[2-(4-methylpiperazin-1-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

445.12424 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13152 204.8
[M+Na]+ 468.11346 214.0
[M-H]- 444.11696 208.3
[M+NH4]+ 463.15806 211.3
[M+K]+ 484.08740 205.4
[M+H-H2O]+ 428.12150 196.2
[M+HCOO]- 490.12244 207.1
[M+CH3COO]- 504.13809 211.4
[M+Na-2H]- 466.09891 198.9
[M]+ 445.12369 206.1
[M]- 445.12479 206.1
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.