CID 456363

4-amino-n-(1,2,4-benzotriazin-3-yl)benzenesulfonamide

Structural Information

Molecular Formula
C13H11N5O2S
SMILES
C1=CC=C2C(=C1)N=C(N=N2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H11N5O2S/c14-9-5-7-10(8-6-9)21(19,20)18-13-15-11-3-1-2-4-12(11)16-17-13/h1-8H,14H2,(H,15,17,18)
InChIKey
WILBLEGKSWWHOV-UHFFFAOYSA-N
Compound name
4-amino-N-(1,2,4-benzotriazin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.06335 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07063 164.8
[M+Na]+ 324.05257 174.5
[M-H]- 300.05607 168.5
[M+NH4]+ 319.09717 176.3
[M+K]+ 340.02651 168.2
[M+H-H2O]+ 284.06061 155.8
[M+HCOO]- 346.06155 180.9
[M+CH3COO]- 360.07720 175.4
[M+Na-2H]- 322.03802 174.0
[M]+ 301.06280 165.3
[M]- 301.06390 165.3
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.