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]+ 294.148846 171.3
[M+Na]+ 316.130788 174.5
[M-H]- 292.134294 177.0
[M+NH4]+ 311.175393 185.3
[M+K]+ 332.104728 170.8
[M+H-H2O]+ 276.138830 163.0
[M+HCOO]- 338.139771 192.0
[M+CH3COO]- 352.155421 205.7
[M+Na-2H]- 314.116236 172.1
[M]+ 293.14102142 169.4
[M]- 293.14211858 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

literature stripe

Patent stripe

patents stripe