CID 135442860

Nsc659826

Structural Information

Molecular Formula
C23H19N3O4S2
SMILES
C1=CC=C(C=C1)/C(=C(\C=N\C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)C3=CC=CC=C3)/O
InChI
InChI=1S/C23H19N3O4S2/c24-32(29,30)19-13-11-18(12-14-19)26-23(31)25-15-20(21(27)16-7-3-1-4-8-16)22(28)17-9-5-2-6-10-17/h1-15,27H,(H,26,31)(H2,24,29,30)/b21-20-,25-15+
InChIKey
XCJCJAGLJSWSAV-QKALCNHZSA-N
Compound name
(1E)-1-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]-3-(4-sulfamoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.0817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.08898 207.7
[M+Na]+ 488.07092 209.8
[M-H]- 464.07442 214.5
[M+NH4]+ 483.11552 213.6
[M+K]+ 504.04486 202.4
[M+H-H2O]+ 448.07896 198.1
[M+HCOO]- 510.07990 218.0
[M+CH3COO]- 524.09555 233.4
[M+Na-2H]- 486.05637 208.6
[M]+ 465.08115 205.6
[M]- 465.08225 205.6
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.