CID 6446380

2-methyl-4-oxo-4-phenyl-n-(m-trifluoromethylphenyl)-2-butenamide

Structural Information

Molecular Formula
C18H14F3NO2
SMILES
C/C(=C\C(=O)C1=CC=CC=C1)/C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H14F3NO2/c1-12(10-16(23)13-6-3-2-4-7-13)17(24)22-15-9-5-8-14(11-15)18(19,20)21/h2-11H,1H3,(H,22,24)/b12-10+
InChIKey
OUJCWGLAUVFWBB-ZRDIBKRKSA-N
Compound name
(E)-2-methyl-4-oxo-4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09766 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10494 174.4
[M+Na]+ 356.08688 180.1
[M-H]- 332.09038 176.7
[M+NH4]+ 351.13148 187.2
[M+K]+ 372.06082 175.2
[M+H-H2O]+ 316.09492 164.0
[M+HCOO]- 378.09586 191.7
[M+CH3COO]- 392.11151 210.7
[M+Na-2H]- 354.07233 175.4
[M]+ 333.09711 169.3
[M]- 333.09821 169.3
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

patents stripe