CID 1348321

374543-82-5

Structural Information

Molecular Formula
C23H22N4O3S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CO5
InChI
InChI=1S/C23H22N4O3S2/c1-15-7-10-25(11-8-15)20-17(21(28)26-9-3-2-6-19(26)24-20)13-18-22(29)27(23(31)32-18)14-16-5-4-12-30-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3/b18-13-
InChIKey
CILZHPWEUMGBSO-AQTBWJFISA-N
Compound name
(5Z)-3-(furan-2-ylmethyl)-5-[[2-(4-methylpiperidin-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

466.11334 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.12062 210.6
[M+Na]+ 489.10256 221.7
[M-H]- 465.10606 220.5
[M+NH4]+ 484.14716 218.3
[M+K]+ 505.07650 214.2
[M+H-H2O]+ 449.11060 203.4
[M+HCOO]- 511.11154 216.7
[M+CH3COO]- 525.12719 218.9
[M+Na-2H]- 487.08801 203.4
[M]+ 466.11279 213.2
[M]- 466.11389 213.2
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.