CID 6477411

Nsc659459

Structural Information

Molecular Formula
C20H13N3O3S2
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)/C=C/N3C(=O)/C(=C/C4=CC(=CC=C4)O)/SC3=S
InChI
InChI=1S/C20H13N3O3S2/c24-13-5-3-4-12(10-13)11-17-19(26)23(20(27)28-17)9-8-16-18(25)22-15-7-2-1-6-14(15)21-16/h1-11,24H,(H,22,25)/b9-8+,17-11-
InChIKey
YHEDFHPMMARWFA-JMAVEDQASA-N
Compound name
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.03983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04711 193.7
[M+Na]+ 430.02905 204.6
[M-H]- 406.03255 198.2
[M+NH4]+ 425.07365 203.1
[M+K]+ 446.00299 193.7
[M+H-H2O]+ 390.03709 186.6
[M+HCOO]- 452.03803 200.0
[M+CH3COO]- 466.05368 201.9
[M+Na-2H]- 428.01450 191.0
[M]+ 407.03928 193.7
[M]- 407.04038 193.7
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.