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]+ 283.14748 163.0
[M+Na]+ 305.12942 171.8
[M+NH4]+ 300.17402 172.0
[M+K]+ 321.10336 162.5
[M-H]- 281.13292 166.6
[M+Na-2H]- 303.11487 170.8
[M]+ 282.13965 165.7
[M]- 282.14075 165.7
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.