CID 217725

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

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCN(CC)C(C)C(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)C
InChI
InChI=1S/C21H28N2O2/c1-5-23(6-2)17(4)21(24)22-20-13-12-19(14-16(20)3)25-15-18-10-8-7-9-11-18/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)
InChIKey
VQLIHEKGJAMVET-UHFFFAOYSA-N
Compound name
2-(diethylamino)-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 186.1
[M+Na]+ 363.204318 189.5
[M-H]- 339.207824 193.3
[M+NH4]+ 358.248923 199.3
[M+K]+ 379.178258 187.0
[M+H-H2O]+ 323.212360 176.7
[M+HCOO]- 385.213301 209.2
[M+CH3COO]- 399.228951 222.8
[M+Na-2H]- 361.189766 186.5
[M]+ 340.21455142 189.0
[M]- 340.21564858 189.0
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