CID 364915

Nsc631802

Structural Information

Molecular Formula
C14H19NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCCC2=O
InChI
InChI=1S/C14H19NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-10-12-4-2-3-5-14(12)16/h6-9,12,15H,2-5,10H2,1H3
InChIKey
VIZPKNKXHAFNFC-UHFFFAOYSA-N
Compound name
4-methyl-N-[(2-oxocyclohexyl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 162.3
[M+Na]+ 304.09777 167.8
[M-H]- 280.10127 168.3
[M+NH4]+ 299.14237 178.1
[M+K]+ 320.07171 163.8
[M+H-H2O]+ 264.10581 155.2
[M+HCOO]- 326.10675 177.8
[M+CH3COO]- 340.12240 198.2
[M+Na-2H]- 302.08322 164.7
[M]+ 281.10800 161.1
[M]- 281.10910 161.1
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.