CID 512380

N-[4-[2-(cyclohexylamino)ethylamino]butyl]naphthalene-2-sulfonamide

Structural Information

Molecular Formula
C22H33N3O2S
SMILES
C1CCC(CC1)NCCNCCCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H33N3O2S/c26-28(27,22-13-12-19-8-4-5-9-20(19)18-22)25-15-7-6-14-23-16-17-24-21-10-2-1-3-11-21/h4-5,8-9,12-13,18,21,23-25H,1-3,6-7,10-11,14-17H2
InChIKey
RPNYIVPCLSALTP-UHFFFAOYSA-N
Compound name
N-[4-[2-(cyclohexylamino)ethylamino]butyl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22934 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.23662 190.3
[M+Na]+ 426.21856 190.8
[M-H]- 402.22206 194.7
[M+NH4]+ 421.26316 200.8
[M+K]+ 442.19250 184.6
[M+H-H2O]+ 386.22660 181.1
[M+HCOO]- 448.22754 204.6
[M+CH3COO]- 462.24319 227.6
[M+Na-2H]- 424.20401 195.0
[M]+ 403.22879 188.2
[M]- 403.22989 188.2
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.