CID 43643

Acetamide, 2-(hexylamino)-n-(2-methyl-4-phenoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCCCCNCC(=O)NC1=C(C=C(C=C1)OC2=CC=CC=C2)C
InChI
InChI=1S/C21H28N2O2/c1-3-4-5-9-14-22-16-21(24)23-20-13-12-19(15-17(20)2)25-18-10-7-6-8-11-18/h6-8,10-13,15,22H,3-5,9,14,16H2,1-2H3,(H,23,24)
InChIKey
HWUXZFFJECONOG-UHFFFAOYSA-N
Compound name
2-(hexylamino)-N-(2-methyl-4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.0
[M+Na]+ 363.204318 188.5
[M-H]- 339.207824 190.7
[M+NH4]+ 358.248923 197.7
[M+K]+ 379.178258 184.1
[M+H-H2O]+ 323.212360 175.6
[M+HCOO]- 385.213301 208.6
[M+CH3COO]- 399.228951 218.7
[M+Na-2H]- 361.189766 187.4
[M]+ 340.21455142 187.3
[M]- 340.21564858 187.3
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.