CID 24212628

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

Structural Information

Molecular Formula
C17H17Cl2NO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C17H17Cl2NO2/c1-11-13(18)4-3-5-15(11)20-17(21)9-7-12-6-8-16(22-2)14(19)10-12/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKey
RXNKBGMKEXUTAJ-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(3-chloro-2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.06363 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07091 175.4
[M+Na]+ 360.05285 184.7
[M-H]- 336.05635 181.7
[M+NH4]+ 355.09745 190.7
[M+K]+ 376.02679 178.2
[M+H-H2O]+ 320.06089 169.3
[M+HCOO]- 382.06183 189.8
[M+CH3COO]- 396.07748 211.9
[M+Na-2H]- 358.03830 176.9
[M]+ 337.06308 181.5
[M]- 337.06418 181.5
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

No patent data available for this compound.