CID 45051323

3-(2-chloro-3-methoxyphenyl)-n-(3-methylphenyl)-2-propenamide

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
CC1=CC(=CC=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C17H16ClNO2/c1-12-5-3-7-14(11-12)19-16(20)10-9-13-6-4-8-15(21-2)17(13)18/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKey
OGHILSVEFOOYKX-MDZDMXLPSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08694 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09422 169.0
[M+Na]+ 324.07616 177.4
[M-H]- 300.07966 175.8
[M+NH4]+ 319.12076 185.0
[M+K]+ 340.05010 171.4
[M+H-H2O]+ 284.08420 162.0
[M+HCOO]- 346.08514 188.7
[M+CH3COO]- 360.10079 205.0
[M+Na-2H]- 322.06161 171.9
[M]+ 301.08639 172.6
[M]- 301.08749 172.6
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.