CID 4962643

N,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide hydrochloride

Structural Information

Molecular Formula
C7H13N3O2S
SMILES
CC1=C(C(=NN1)C)S(=O)(=O)N(C)C
InChI
InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
InChIKey
YJCZGTAEFYFJRJ-UHFFFAOYSA-N
Compound name
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

203.07285 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08013 142.7
[M+Na]+ 226.06207 152.6
[M-H]- 202.06557 144.9
[M+NH4]+ 221.10667 161.8
[M+K]+ 242.03601 150.8
[M+H-H2O]+ 186.07011 136.7
[M+HCOO]- 248.07105 160.0
[M+CH3COO]- 262.08670 185.3
[M+Na-2H]- 224.04752 144.8
[M]+ 203.07230 146.2
[M]- 203.07340 146.2
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

No patent data available for this compound.