CID 135508087

1-[(z)-(6-chloro-2-oxo-indolin-3-ylidene)amino]-3-(4-sulfamoylphenyl)urea

Structural Information

Molecular Formula
C15H12ClN5O4S
SMILES
C1=CC(=CC=C1NC(=O)N=NC2=C(NC3=C2C=CC(=C3)Cl)O)S(=O)(=O)N
InChI
InChI=1S/C15H12ClN5O4S/c16-8-1-6-11-12(7-8)19-14(22)13(11)20-21-15(23)18-9-2-4-10(5-3-9)26(17,24)25/h1-7,19,22H,(H,18,23)(H2,17,24,25)
InChIKey
WURSIDOQGNHDAF-UHFFFAOYSA-N
Compound name
1-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.02985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.03713 185.5
[M+Na]+ 416.01907 195.2
[M-H]- 392.02257 193.0
[M+NH4]+ 411.06367 198.4
[M+K]+ 431.99301 189.3
[M+H-H2O]+ 376.02711 178.7
[M+HCOO]- 438.02805 202.8
[M+CH3COO]- 452.04370 222.2
[M+Na-2H]- 414.00452 191.2
[M]+ 393.02930 190.5
[M]- 393.03040 190.5
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.