CID 199662

3-pyrazoline-4-sulfonamide, n-cyclohexyl-2,3-dimethyl-5-oxo-1-phenyl-

Structural Information

Molecular Formula
C17H23N3O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)NC3CCCCC3
InChI
InChI=1S/C17H23N3O3S/c1-13-16(24(22,23)18-14-9-5-3-6-10-14)17(21)20(19(13)2)15-11-7-4-8-12-15/h4,7-8,11-12,14,18H,3,5-6,9-10H2,1-2H3
InChIKey
ZUFNMMACLKHWSI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14603 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15331 181.7
[M+Na]+ 372.13525 189.1
[M-H]- 348.13875 189.1
[M+NH4]+ 367.17985 194.2
[M+K]+ 388.10919 184.0
[M+H-H2O]+ 332.14329 173.3
[M+HCOO]- 394.14423 196.0
[M+CH3COO]- 408.15988 210.9
[M+Na-2H]- 370.12070 181.3
[M]+ 349.14548 181.8
[M]- 349.14658 181.8
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.