CID 23634855

125971-57-5

Structural Information

Molecular Formula
C19H19NO2
SMILES
CC(C)C(=O)/C(=C/C1=CC=CC=C1)/C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C19H19NO2/c1-14(2)18(21)17(13-15-9-5-3-6-10-15)19(22)20-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,22)/b17-13-
InChIKey
SMUFHBOCNIUNPT-LGMDPLHJSA-N
Compound name
(2Z)-2-benzylidene-4-methyl-3-oxo-N-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

293.14157 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 171.3
[M+Na]+ 316.13079 174.5
[M-H]- 292.13429 177.0
[M+NH4]+ 311.17539 185.3
[M+K]+ 332.10473 170.8
[M+H-H2O]+ 276.13883 163.0
[M+HCOO]- 338.13977 192.0
[M+CH3COO]- 352.15542 205.7
[M+Na-2H]- 314.11624 172.1
[M]+ 293.14102 169.4
[M]- 293.14212 169.4
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.