CID 217731

N-(2-methyl-4-(phenylmethoxy)phenyl)-2-(propylamino)propanamide hydrochloride

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CCCNC(C)C(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)C
InChI
InChI=1S/C20H26N2O2/c1-4-12-21-16(3)20(23)22-19-11-10-18(13-15(19)2)24-14-17-8-6-5-7-9-17/h5-11,13,16,21H,4,12,14H2,1-3H3,(H,22,23)
InChIKey
LTYXEELLDJKGIY-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenylmethoxyphenyl)-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.2
[M+Na]+ 349.18865 184.9
[M-H]- 325.19215 187.1
[M+NH4]+ 344.23325 194.4
[M+K]+ 365.16259 181.2
[M+H-H2O]+ 309.19669 172.1
[M+HCOO]- 371.19763 204.2
[M+CH3COO]- 385.21328 216.6
[M+Na-2H]- 347.17410 182.9
[M]+ 326.19888 182.5
[M]- 326.19998 182.5
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