CID 4449776

N1-hexadecyl-n1-methylmetanilamide

Structural Information

Molecular Formula
C23H42N2O2S
SMILES
CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C23H42N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(2)28(26,27)23-19-17-18-22(24)21-23/h17-19,21H,3-16,20,24H2,1-2H3
InChIKey
IHAJXIZFTZRGHO-UHFFFAOYSA-N
Compound name
3-amino-N-hexadecyl-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2967 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.30398 205.7
[M+Na]+ 433.28592 206.9
[M-H]- 409.28942 207.6
[M+NH4]+ 428.33052 216.6
[M+K]+ 449.25986 201.7
[M+H-H2O]+ 393.29396 196.4
[M+HCOO]- 455.29490 221.2
[M+CH3COO]- 469.31055 233.4
[M+Na-2H]- 431.27137 203.0
[M]+ 410.29615 212.6
[M]- 410.29725 212.6
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.