CID 45051387

3-(2-chloro-3-methoxyphenyl)-n-(2-(4-methoxyphenyl)ethyl)propanamide

Structural Information

Molecular Formula
C19H22ClNO3
SMILES
COC1=CC=C(C=C1)CCNC(=O)CCC2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C19H22ClNO3/c1-23-16-9-6-14(7-10-16)12-13-21-18(22)11-8-15-4-3-5-17(24-2)19(15)20/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,22)
InChIKey
YCCSGXZJDPOUJB-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13608 181.9
[M+Na]+ 370.11802 188.9
[M-H]- 346.12152 188.3
[M+NH4]+ 365.16262 195.9
[M+K]+ 386.09196 183.7
[M+H-H2O]+ 330.12606 174.1
[M+HCOO]- 392.12700 200.9
[M+CH3COO]- 406.14265 214.5
[M+Na-2H]- 368.10347 183.8
[M]+ 347.12825 188.4
[M]- 347.12935 188.4
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

No patent data available for this compound.