CID 217727

2-(butylamino)-n-(2-methyl-4-(phenylmethoxy)phenyl)propanamide hydrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCCNC(C)C(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)C
InChI
InChI=1S/C21H28N2O2/c1-4-5-13-22-17(3)21(24)23-20-12-11-19(14-16(20)2)25-15-18-9-7-6-8-10-18/h6-12,14,17,22H,4-5,13,15H2,1-3H3,(H,23,24)
InChIKey
ANQAGRVXRPCCBM-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-(2-methyl-4-phenylmethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.7
[M+Na]+ 363.204318 188.9
[M-H]- 339.207824 191.4
[M+NH4]+ 358.248923 198.3
[M+K]+ 379.178258 185.0
[M+H-H2O]+ 323.212360 176.4
[M+HCOO]- 385.213301 208.3
[M+CH3COO]- 399.228951 219.5
[M+Na-2H]- 361.189766 186.9
[M]+ 340.21455142 187.4
[M]- 340.21564858 187.4
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

patents stripe