CID 6477065

Nsc630604

Structural Information

Molecular Formula
C26H21NO3
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/CN1C(=O)OC4=CC=CC=C4
InChI
InChI=1S/C26H21NO3/c28-25-22(16-20-10-4-1-5-11-20)18-27(26(29)30-24-14-8-3-9-15-24)19-23(25)17-21-12-6-2-7-13-21/h1-17H,18-19H2/b22-16-,23-17+
InChIKey
XLDMFJRQWIVEPX-SWRBISBUSA-N
Compound name
phenyl (3Z,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15213 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 197.9
[M+Na]+ 418.14135 202.0
[M-H]- 394.14485 207.7
[M+NH4]+ 413.18595 205.9
[M+K]+ 434.11529 194.7
[M+H-H2O]+ 378.14939 185.6
[M+HCOO]- 440.15033 215.0
[M+CH3COO]- 454.16598 205.7
[M+Na-2H]- 416.12680 197.7
[M]+ 395.15158 193.0
[M]- 395.15268 193.0
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

No patent data available for this compound.