CID 706169

955-15-7

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C
InChI
InChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChIKey
BJJWJFXXXQZNIU-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

251.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08013 155.2
[M+Na]+ 274.06207 166.2
[M-H]- 250.06557 160.4
[M+NH4]+ 269.10667 172.1
[M+K]+ 290.03601 161.8
[M+H-H2O]+ 234.07011 148.2
[M+HCOO]- 296.07105 173.3
[M+CH3COO]- 310.08670 192.6
[M+Na-2H]- 272.04752 157.3
[M]+ 251.07230 157.8
[M]- 251.07340 157.8
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