CID 45051383

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

Structural Information

Molecular Formula
C22H20ClNO3
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H20ClNO3/c1-26-20-9-5-6-16(22(20)23)10-15-21(25)24-17-11-13-19(14-12-17)27-18-7-3-2-4-8-18/h2-9,11-14H,10,15H2,1H3,(H,24,25)
InChIKey
BVWWALPTMMUPHU-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11316 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12044 190.3
[M+Na]+ 404.10238 197.1
[M-H]- 380.10588 199.6
[M+NH4]+ 399.14698 202.2
[M+K]+ 420.07632 191.0
[M+H-H2O]+ 364.11042 180.9
[M+HCOO]- 426.11136 209.4
[M+CH3COO]- 440.12701 219.3
[M+Na-2H]- 402.08783 193.0
[M]+ 381.11261 195.2
[M]- 381.11371 195.2
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.