CID 83696

6-sulfanilamidoindazole

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)
InChIKey
RLNLIVBLEZDLMZ-UHFFFAOYSA-N
Compound name
4-amino-N-(1H-indazol-6-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

60
Patents

288.06808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 160.9
[M+Na]+ 311.05730 171.3
[M-H]- 287.06080 165.5
[M+NH4]+ 306.10190 175.9
[M+K]+ 327.03124 164.8
[M+H-H2O]+ 271.06534 153.7
[M+HCOO]- 333.06628 179.3
[M+CH3COO]- 347.08193 172.6
[M+Na-2H]- 309.04275 167.8
[M]+ 288.06753 161.8
[M]- 288.06863 161.8
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