CID 170917311

N,n-dioctyl-7-oxoheptane-1-sulfonamide

Structural Information

Molecular Formula
C23H47NO3S
SMILES
CCCCCCCCN(CCCCCCCC)S(=O)(=O)CCCCCCC=O
InChI
InChI=1S/C23H47NO3S/c1-3-5-7-9-12-16-20-24(21-17-13-10-8-6-4-2)28(26,27)23-19-15-11-14-18-22-25/h22H,3-21,23H2,1-2H3
InChIKey
BNIPFCLBPQPWSV-UHFFFAOYSA-N
Compound name
N,N-dioctyl-7-oxoheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.32767 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.33495 210.3
[M+Na]+ 440.31689 210.5
[M-H]- 416.32039 208.9
[M+NH4]+ 435.36149 224.0
[M+K]+ 456.29083 206.0
[M+H-H2O]+ 400.32493 201.9
[M+HCOO]- 462.32587 234.7
[M+CH3COO]- 476.34152 233.5
[M+Na-2H]- 438.30234 206.3
[M]+ 417.32712 222.1
[M]- 417.32822 222.1
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.