CID 5949971

329778-84-9

Structural Information

Molecular Formula
C18H17ClFNO4
SMILES
COC1=C(C(=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)F)Cl)OC)OC
InChI
InChI=1S/C18H17ClFNO4/c1-23-15-8-4-11(17(24-2)18(15)25-3)5-9-16(22)21-12-6-7-14(20)13(19)10-12/h4-10H,1-3H3,(H,21,22)/b9-5+
InChIKey
LQTXQPCBIHJYOO-WEVVVXLNSA-N
Compound name
(E)-N-(3-chloro-4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.083 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09028 181.1
[M+Na]+ 388.07222 190.6
[M-H]- 364.07572 187.1
[M+NH4]+ 383.11682 194.8
[M+K]+ 404.04616 185.5
[M+H-H2O]+ 348.08026 172.9
[M+HCOO]- 410.08120 199.8
[M+CH3COO]- 424.09685 217.4
[M+Na-2H]- 386.05767 181.7
[M]+ 365.08245 187.7
[M]- 365.08355 187.7
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.