CID 6165492

18118-66-6

Structural Information

Molecular Formula
C28H48ClN3O2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(\C1=CC=CC=C1Cl)/N2CCCCC2
InChI
InChI=1S/C28H48ClN3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35(33,34)31-30-28(32-23-18-15-19-24-32)26-21-16-17-22-27(26)29/h16-17,21-22,31H,2-15,18-20,23-25H2,1H3/b30-28+
InChIKey
BRRMAQWVYIJRQU-SJCQXOIGSA-N
Compound name
N-[(E)-[(2-chlorophenyl)-piperidin-1-ylmethylidene]amino]hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.31555 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.32283 231.6
[M+Na]+ 548.30477 230.0
[M-H]- 524.30827 234.3
[M+NH4]+ 543.34937 237.0
[M+K]+ 564.27871 222.1
[M+H-H2O]+ 508.31281 221.1
[M+HCOO]- 570.31375 237.9
[M+CH3COO]- 584.32940 249.2
[M+Na-2H]- 546.29022 227.8
[M]+ 525.31500 236.3
[M]- 525.31610 236.3
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.