CID 1707

4-(5-bromo-2-oxo-2h-indol-3-ylazo)-benzenesulfonamide

Structural Information

Molecular Formula
C14H9BrN4O3S
SMILES
C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=NC2=O)Br)S(=O)(=O)N
InChI
InChI=1S/C14H9BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7H,(H2,16,21,22)
InChIKey
BWTHJLODYBOEIY-UHFFFAOYSA-N
Compound name
4-[(5-bromo-2-oxoindol-3-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

391.95786 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.96514 169.7
[M+Na]+ 414.94708 184.2
[M-H]- 390.95058 182.0
[M+NH4]+ 409.99168 187.4
[M+K]+ 430.92102 171.5
[M+H-H2O]+ 374.95512 167.5
[M+HCOO]- 436.95606 192.1
[M+CH3COO]- 450.97171 220.3
[M+Na-2H]- 412.93253 178.1
[M]+ 391.95731 193.7
[M]- 391.95841 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

literature stripe

Patent stripe

patents stripe