CID 4131878

Dtxsid101164252

Structural Information

Molecular Formula
C26H21Cl2NO
SMILES
C1C(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)CN1CC4=CC=CC=C4
InChI
InChI=1S/C26H21Cl2NO/c27-24-12-6-4-10-20(24)14-22-17-29(16-19-8-2-1-3-9-19)18-23(26(22)30)15-21-11-5-7-13-25(21)28/h1-15H,16-18H2
InChIKey
MOWSEIJAODKLRS-UHFFFAOYSA-N
Compound name
1-benzyl-3,5-bis[(2-chlorophenyl)methylidene]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.10728 206.7
[M+Na]+ 456.08922 214.2
[M-H]- 432.09272 215.7
[M+NH4]+ 451.13382 215.6
[M+K]+ 472.06316 203.3
[M+H-H2O]+ 416.09726 195.3
[M+HCOO]- 478.09820 214.6
[M+CH3COO]- 492.11385 214.3
[M+Na-2H]- 454.07467 204.6
[M]+ 433.09945 205.6
[M]- 433.10055 205.6
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.