CID 4161722

Octane-2-sulfonic acid methyl-phenyl-amide

Structural Information

Molecular Formula
C15H25NO2S
SMILES
CCCCCCC(C)S(=O)(=O)N(C)C1=CC=CC=C1
InChI
InChI=1S/C15H25NO2S/c1-4-5-6-8-11-14(2)19(17,18)16(3)15-12-9-7-10-13-15/h7,9-10,12-14H,4-6,8,11H2,1-3H3
InChIKey
LZWJSZRQEVHSAB-UHFFFAOYSA-N
Compound name
N-methyl-N-phenyloctane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1606 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16788 167.9
[M+Na]+ 306.14982 177.3
[M+NH4]+ 301.19442 175.1
[M+K]+ 322.12376 169.6
[M-H]- 282.15332 169.4
[M+Na-2H]- 304.13527 172.7
[M]+ 283.16005 170.1
[M]- 283.16115 170.1
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.