CID 42703

4-methoxy-3-piperidinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)CN3CCCCC3
InChI
InChI=1S/C20H23NO2/c1-23-19-11-10-17(20(22)16-8-4-2-5-9-16)14-18(19)15-21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3
InChIKey
ATSLJUUCZRFUAE-UHFFFAOYSA-N
Compound name
[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.0
[M+Na]+ 332.16210 178.8
[M-H]- 308.16560 181.9
[M+NH4]+ 327.20670 187.3
[M+K]+ 348.13604 174.2
[M+H-H2O]+ 292.17014 164.6
[M+HCOO]- 354.17108 192.5
[M+CH3COO]- 368.18673 205.9
[M+Na-2H]- 330.14755 176.6
[M]+ 309.17233 171.7
[M]- 309.17343 171.7
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.