CID 232005

N-(4-((phenylsulfonyl)amino)-2-(1h-triaziren-1-yl)phenyl)benzenesulfonamide

Structural Information

Molecular Formula
C18H15N5O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N4N=N4
InChI
InChI=1S/C18H15N5O4S2/c24-28(25,15-7-3-1-4-8-15)19-14-11-12-17(18(13-14)23-21-22-23)20-29(26,27)16-9-5-2-6-10-16/h1-13,19-20H
InChIKey
RAXBFWWKTQKMQO-UHFFFAOYSA-N
Compound name
N-[4-(benzenesulfonamido)-3-(triazirin-1-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.05655 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06383 195.9
[M+Na]+ 452.04577 205.3
[M-H]- 428.04927 204.3
[M+NH4]+ 447.09037 196.6
[M+K]+ 468.01971 196.3
[M+H-H2O]+ 412.05381 186.8
[M+HCOO]- 474.05475 208.9
[M+CH3COO]- 488.07040 224.3
[M+Na-2H]- 450.03122 203.7
[M]+ 429.05600 200.3
[M]- 429.05710 200.3
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.