CID 512370

N-[4-[2-(cyclohexylamino)ethylamino]butyl]benzenesulfonamide

Structural Information

Molecular Formula
C18H31N3O2S
SMILES
C1CCC(CC1)NCCNCCCCNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H31N3O2S/c22-24(23,18-11-5-2-6-12-18)21-14-8-7-13-19-15-16-20-17-9-3-1-4-10-17/h2,5-6,11-12,17,19-21H,1,3-4,7-10,13-16H2
InChIKey
DEAFFQSHTJOSNK-UHFFFAOYSA-N
Compound name
N-[4-[2-(cyclohexylamino)ethylamino]butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21368 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22096 180.2
[M+Na]+ 376.20290 180.1
[M-H]- 352.20640 184.1
[M+NH4]+ 371.24750 191.7
[M+K]+ 392.17684 175.1
[M+H-H2O]+ 336.21094 171.2
[M+HCOO]- 398.21188 195.9
[M+CH3COO]- 412.22753 216.8
[M+Na-2H]- 374.18835 183.5
[M]+ 353.21313 177.3
[M]- 353.21423 177.3
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.