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 180.8
[M+Na]+ 372.13525 191.6
[M+NH4]+ 367.17985 186.9
[M+K]+ 388.10919 186.0
[M-H]- 348.13875 184.2
[M+Na-2H]- 370.12070 186.9
[M]+ 349.14548 183.5
[M]- 349.14658 183.5
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.