CID 45051436

N-(2-(3-chloro-4-methoxyphenyl)ethyl)-3-(3-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C18H17ClFNO2
SMILES
COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=CC=C2)F)Cl
InChI
InChI=1S/C18H17ClFNO2/c1-23-17-7-5-14(12-16(17)19)9-10-21-18(22)8-6-13-3-2-4-15(20)11-13/h2-8,11-12H,9-10H2,1H3,(H,21,22)/b8-6+
InChIKey
LAIABSJHRBGPLO-SOFGYWHQSA-N
Compound name
(E)-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09317 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10045 176.2
[M+Na]+ 356.08239 184.2
[M-H]- 332.08589 181.4
[M+NH4]+ 351.12699 190.8
[M+K]+ 372.05633 177.5
[M+H-H2O]+ 316.09043 167.9
[M+HCOO]- 378.09137 194.5
[M+CH3COO]- 392.10702 210.6
[M+Na-2H]- 354.06784 178.0
[M]+ 333.09262 179.1
[M]- 333.09372 179.1
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.