CID 1536109

373611-95-1

Structural Information

Molecular Formula
C23H23N5O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)N5CCN(CC5)C
InChI
InChI=1S/C23H23N5O3S2/c1-15-5-3-7-27-19(15)24-20(26-10-8-25(2)9-11-26)17(21(27)29)13-18-22(30)28(23(32)33-18)14-16-6-4-12-31-16/h3-7,12-13H,8-11,14H2,1-2H3/b18-13-
InChIKey
LCHHYTJFNVHYOQ-AQTBWJFISA-N
Compound name
(5Z)-3-(furan-2-ylmethyl)-5-[[9-methyl-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

481.12424 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.13152 212.4
[M+Na]+ 504.11346 226.5
[M+NH4]+ 499.15806 217.8
[M+K]+ 520.08740 219.3
[M-H]- 480.11696 218.1
[M+Na-2H]- 502.09891 216.3
[M]+ 481.12369 216.8
[M]- 481.12479 216.8
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.