CID 4601395

N1-hexadecylmetanilanilide

Structural Information

Molecular Formula
C28H44N2O2S
SMILES
CCCCCCCCCCCCCCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C28H44N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-30(27-21-16-15-17-22-27)33(31,32)28-23-19-20-26(29)25-28/h15-17,19-23,25H,2-14,18,24,29H2,1H3
InChIKey
MUUNZQLDIFWNSC-UHFFFAOYSA-N
Compound name
3-amino-N-hexadecyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.31235 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.31963 221.2
[M+Na]+ 495.30157 221.6
[M-H]- 471.30507 225.8
[M+NH4]+ 490.34617 229.0
[M+K]+ 511.27551 214.8
[M+H-H2O]+ 455.30961 210.4
[M+HCOO]- 517.31055 236.6
[M+CH3COO]- 531.32620 243.7
[M+Na-2H]- 493.28702 219.0
[M]+ 472.31180 227.2
[M]- 472.31290 227.2
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.