CID 123510782

2-(dimethylaminomethylidene)-4-methoxy-3-oxo-n-((2,4,6-trifluorophenyl)methyl)butanamide

Structural Information

Molecular Formula
C15H17F3N2O3
SMILES
CN(C)C=C(C(=O)COC)C(=O)NCC1=C(C=C(C=C1F)F)F
InChI
InChI=1S/C15H17F3N2O3/c1-20(2)7-11(14(21)8-23-3)15(22)19-6-10-12(17)4-9(16)5-13(10)18/h4-5,7H,6,8H2,1-3H3,(H,19,22)
InChIKey
ABJJHQWMGDFVEW-UHFFFAOYSA-N
Compound name
2-(dimethylaminomethylidene)-4-methoxy-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.11914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12642 173.4
[M+Na]+ 353.10836 179.6
[M-H]- 329.11186 174.4
[M+NH4]+ 348.15296 187.4
[M+K]+ 369.08230 177.8
[M+H-H2O]+ 313.11640 163.3
[M+HCOO]- 375.11734 193.5
[M+CH3COO]- 389.13299 219.3
[M+Na-2H]- 351.09381 170.7
[M]+ 330.11859 173.0
[M]- 330.11969 173.0
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