CID 8940

Ketone, 4-(diphenylhydroxymethyl)piperidino iodomethyl

Structural Information

Molecular Formula
C20H22INO2
SMILES
C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CI
InChI
InChI=1S/C20H22INO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2
InChIKey
BYMUWIFYMSRMOE-UHFFFAOYSA-N
Compound name
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-iodoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.06952 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.07680 187.7
[M+Na]+ 458.05874 183.3
[M-H]- 434.06224 185.3
[M+NH4]+ 453.10334 193.6
[M+K]+ 474.03268 184.2
[M+H-H2O]+ 418.06678 174.3
[M+HCOO]- 480.06772 196.9
[M+CH3COO]- 494.08337 211.9
[M+Na-2H]- 456.04419 178.3
[M]+ 435.06897 179.2
[M]- 435.07007 179.2
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.