CID 45051321

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

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
CC1=CC=CC=C1NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C17H16ClNO2/c1-12-6-3-4-8-14(12)19-16(20)11-10-13-7-5-9-15(21-2)17(13)18/h3-11H,1-2H3,(H,19,20)/b11-10+
InChIKey
OAJKWAYDALDZJB-ZHACJKMWSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-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 169.3
[M+Na]+ 324.07616 184.2
[M+NH4]+ 319.12076 177.4
[M+K]+ 340.05010 175.4
[M-H]- 300.07966 174.1
[M+Na-2H]- 322.06161 177.8
[M]+ 301.08639 173.1
[M]- 301.08749 173.1
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.