CID 24212809

Dtxsid201252414

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16ClNO2/c1-20-14-9-5-6-12(16(14)17)10-11-15(19)18-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKey
IIWWGYNMZIFJCF-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09422 165.4
[M+Na]+ 312.07616 172.9
[M-H]- 288.07966 171.9
[M+NH4]+ 307.12076 181.5
[M+K]+ 328.05010 167.7
[M+H-H2O]+ 272.08420 158.2
[M+HCOO]- 334.08514 185.2
[M+CH3COO]- 348.10079 202.3
[M+Na-2H]- 310.06161 169.5
[M]+ 289.08639 168.9
[M]- 289.08749 168.9
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.