CID 75355934

1-(cyclopropylmethyl)-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
C1CC1CN2C=C(C=N2)S(=O)(=O)N
InChI
InChI=1S/C7H11N3O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2,(H2,8,11,12)
InChIKey
UKIMBZAGEPTCBG-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

201.0572 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 143.1
[M+Na]+ 224.04642 154.1
[M-H]- 200.04992 148.1
[M+NH4]+ 219.09102 156.7
[M+K]+ 240.02036 149.6
[M+H-H2O]+ 184.05446 136.3
[M+HCOO]- 246.05540 161.3
[M+CH3COO]- 260.07105 184.4
[M+Na-2H]- 222.03187 146.1
[M]+ 201.05665 146.7
[M]- 201.05775 146.7
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

patents stripe