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

1
Patents

340.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.7
[M+Na]+ 363.20432 188.9
[M-H]- 339.20782 191.4
[M+NH4]+ 358.24892 198.3
[M+K]+ 379.17826 185.0
[M+H-H2O]+ 323.21236 176.4
[M+HCOO]- 385.21330 208.3
[M+CH3COO]- 399.22895 219.5
[M+Na-2H]- 361.18977 186.9
[M]+ 340.21455 187.4
[M]- 340.21565 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