CID 493413

15520-50-0

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H14N4O2S/c16-12-6-8-15(9-7-12)22(20,21)18-13-10-17-19(11-13)14-4-2-1-3-5-14/h1-11,18H,16H2
InChIKey
WSAGDYARHNGKFB-UHFFFAOYSA-N
Compound name
4-amino-N-(1-phenylpyrazol-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 169.7
[M+Na]+ 337.07296 178.6
[M-H]- 313.07646 177.5
[M+NH4]+ 332.11756 182.8
[M+K]+ 353.04690 172.6
[M+H-H2O]+ 297.08100 160.9
[M+HCOO]- 359.08194 189.0
[M+CH3COO]- 373.09759 180.9
[M+Na-2H]- 335.05841 174.2
[M]+ 314.08319 170.1
[M]- 314.08429 170.1
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.