CID 2643048

99448-85-8

Structural Information

Molecular Formula
C21H17N3O3S
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O3S/c25-21-20(22-23-28(26,27)17-11-5-2-6-12-17)18-13-7-8-14-19(18)24(21)15-16-9-3-1-4-10-16/h1-14,25H,15H2
InChIKey
KAJLJEWXQQYWQE-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10634 191.4
[M+Na]+ 414.08828 201.2
[M-H]- 390.09178 203.1
[M+NH4]+ 409.13288 204.6
[M+K]+ 430.06222 195.1
[M+H-H2O]+ 374.09632 182.2
[M+HCOO]- 436.09726 213.5
[M+CH3COO]- 450.11291 202.8
[M+Na-2H]- 412.07373 197.8
[M]+ 391.09851 197.2
[M]- 391.09961 197.2
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.