CID 6477066

Nsc630607

Structural Information

Molecular Formula
C26H20ClNO3
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/CN1C(=O)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H20ClNO3/c27-23-11-13-24(14-12-23)31-26(30)28-17-21(15-19-7-3-1-4-8-19)25(29)22(18-28)16-20-9-5-2-6-10-20/h1-16H,17-18H2/b21-15-,22-16+
InChIKey
FNXCWBHQNWTCOR-KBNZVFGVSA-N
Compound name
(4-chlorophenyl) (3Z,5E)-3,5-dibenzylidene-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.11316 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.12044 204.9
[M+Na]+ 452.10238 210.8
[M-H]- 428.10588 214.9
[M+NH4]+ 447.14698 212.9
[M+K]+ 468.07632 202.3
[M+H-H2O]+ 412.11042 193.2
[M+HCOO]- 474.11136 217.6
[M+CH3COO]- 488.12701 212.8
[M+Na-2H]- 450.08783 203.6
[M]+ 429.11261 203.2
[M]- 429.11371 203.2
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.