CID 43598241

1423032-54-5

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)N
InChI
InChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)19(17,18)16-11-14(15)9-3-2-4-10-14/h5-8,16H,2-4,9-11,15H2,1H3
InChIKey
XDERYKUCBRNSFK-UHFFFAOYSA-N
Compound name
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.147476 163.0
[M+Na]+ 305.129418 167.5
[M-H]- 281.132924 168.1
[M+NH4]+ 300.174023 180.0
[M+K]+ 321.103358 163.4
[M+H-H2O]+ 265.137460 156.4
[M+HCOO]- 327.138401 178.5
[M+CH3COO]- 341.154051 199.7
[M+Na-2H]- 303.114866 167.1
[M]+ 282.13965142 159.4
[M]- 282.14074858 159.4
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.