CID 6446380

2-butenamide, 2-methyl-4-oxo-4-phenyl-n-(3-(trifluoromethyl)phenyl)-

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

2
Patents

333.09766 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.104936 174.4
[M+Na]+ 356.086878 180.1
[M-H]- 332.090384 176.7
[M+NH4]+ 351.131483 187.2
[M+K]+ 372.060818 175.2
[M+H-H2O]+ 316.094920 164.0
[M+HCOO]- 378.095861 191.7
[M+CH3COO]- 392.111511 210.7
[M+Na-2H]- 354.072326 175.4
[M]+ 333.09711142 169.3
[M]- 333.09820858 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