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
2
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

literature stripe

Patent stripe

patents stripe