CID 8939

Ketone, chloromethyl 4-(diphenylhydroxymethyl)piperidino

Structural Information

Molecular Formula
C20H22ClNO2
SMILES
C1CN(CCC1C(=O)CCl)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H22ClNO2/c21-15-19(23)16-11-13-22(14-12-16)20(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,24H,11-15H2
InChIKey
OXKRHUJDYNUUBQ-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[hydroxy(diphenyl)methyl]piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1339 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14118 181.0
[M+Na]+ 366.12312 184.6
[M-H]- 342.12662 186.3
[M+NH4]+ 361.16772 191.9
[M+K]+ 382.09706 178.1
[M+H-H2O]+ 326.13116 171.9
[M+HCOO]- 388.13210 190.8
[M+CH3COO]- 402.14775 206.4
[M+Na-2H]- 364.10857 183.3
[M]+ 343.13335 177.5
[M]- 343.13445 177.5
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.