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 167.5
[M-H]- 281.13292 168.1
[M+NH4]+ 300.17402 180.0
[M+K]+ 321.10336 163.4
[M+H-H2O]+ 265.13746 156.4
[M+HCOO]- 327.13840 178.5
[M+CH3COO]- 341.15405 199.7
[M+Na-2H]- 303.11487 167.1
[M]+ 282.13965 159.4
[M]- 282.14075 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.