CID 6368050

Nsc630609

Structural Information

Molecular Formula
C27H23NO3
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/CN1C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C27H23NO3/c29-26-24(16-21-10-4-1-5-11-21)18-28(19-25(26)17-22-12-6-2-7-13-22)27(30)31-20-23-14-8-3-9-15-23/h1-17H,18-20H2/b24-16-,25-17+
InChIKey
CSPUMCDDBFCPRT-DRPBVWSQSA-N
Compound name
benzyl (3Z,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17508 202.2
[M+Na]+ 432.15702 205.9
[M-H]- 408.16052 211.8
[M+NH4]+ 427.20162 209.7
[M+K]+ 448.13096 198.4
[M+H-H2O]+ 392.16506 189.7
[M+HCOO]- 454.16600 219.0
[M+CH3COO]- 468.18165 209.6
[M+Na-2H]- 430.14247 201.6
[M]+ 409.16725 197.7
[M]- 409.16835 197.7
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.