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 167.7
[M+Na]+ 306.14982 172.4
[M-H]- 282.15332 171.9
[M+NH4]+ 301.19442 184.3
[M+K]+ 322.12376 170.0
[M+H-H2O]+ 266.15786 160.5
[M+HCOO]- 328.15880 184.6
[M+CH3COO]- 342.17445 205.0
[M+Na-2H]- 304.13527 168.9
[M]+ 283.16005 172.8
[M]- 283.16115 172.8
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.