CID 667594

472981-92-3

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
InChIKey
RYAMDQKWNKKFHD-JXMROGBWSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

131
References

113
Patents

287.07132 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 164.6
[M+Na]+ 310.06054 172.5
[M-H]- 286.06404 171.2
[M+NH4]+ 305.10514 180.8
[M+K]+ 326.03448 166.7
[M+H-H2O]+ 270.06858 157.6
[M+HCOO]- 332.06952 184.7
[M+CH3COO]- 346.08517 200.8
[M+Na-2H]- 308.04599 168.8
[M]+ 287.07077 167.4
[M]- 287.07187 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe