CID 170917277

N-hexyl-n-octyl-7-oxoheptane-1-sulfonamide

Structural Information

Molecular Formula
C21H43NO3S
SMILES
CCCCCCCCN(CCCCCC)S(=O)(=O)CCCCCCC=O
InChI
InChI=1S/C21H43NO3S/c1-3-5-7-9-11-15-19-22(18-14-8-6-4-2)26(24,25)21-17-13-10-12-16-20-23/h20H,3-19,21H2,1-2H3
InChIKey
WOYWBFQCPDKBIS-UHFFFAOYSA-N
Compound name
N-hexyl-N-octyl-7-oxoheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.29636 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30364 201.9
[M+Na]+ 412.28558 202.9
[M-H]- 388.28908 200.9
[M+NH4]+ 407.33018 214.3
[M+K]+ 428.25952 198.9
[M+H-H2O]+ 372.29362 193.8
[M+HCOO]- 434.29456 216.5
[M+CH3COO]- 448.31021 227.7
[M+Na-2H]- 410.27103 198.8
[M]+ 389.29581 213.0
[M]- 389.29691 213.0
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.