CID 2684210

895700-18-2

Structural Information

Molecular Formula
C18H16F3NO3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC
InChI
InChI=1S/C18H16F3NO3/c1-24-15-9-3-12(11-16(15)25-2)4-10-17(23)22-14-7-5-13(6-8-14)18(19,20)21/h3-11H,1-2H3,(H,22,23)/b10-4+
InChIKey
KFWWXJZNIMFFRO-ONNFQVAWSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10822 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11550 179.2
[M+Na]+ 374.09744 186.8
[M-H]- 350.10094 182.1
[M+NH4]+ 369.14204 192.0
[M+K]+ 390.07138 182.2
[M+H-H2O]+ 334.10548 168.5
[M+HCOO]- 396.10642 198.4
[M+CH3COO]- 410.12207 214.3
[M+Na-2H]- 372.08289 181.1
[M]+ 351.10767 178.2
[M]- 351.10877 178.2
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.