CID 65802

Glipalamide

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
CC1CC=NN1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C12H15N3O3S/c1-9-3-5-11(6-4-9)19(17,18)14-12(16)15-10(2)7-8-13-15/h3-6,8,10H,7H2,1-2H3,(H,14,16)
InChIKey
OUUYOZGHNAGYNC-UHFFFAOYSA-N
Compound name
3-methyl-N-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

46
Patents

281.0834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.090676 163.2
[M+Na]+ 304.072618 171.6
[M-H]- 280.076124 168.0
[M+NH4]+ 299.117223 178.6
[M+K]+ 320.046558 168.2
[M+H-H2O]+ 264.080660 155.8
[M+HCOO]- 326.081601 179.5
[M+CH3COO]- 340.097251 196.2
[M+Na-2H]- 302.058066 164.8
[M]+ 281.08285142 165.2
[M]- 281.08394858 165.2
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.