CID 42713

2,4-dimethoxy-3-piperidinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)CN3CCCCC3
InChI
InChI=1S/C21H25NO3/c1-24-19-12-11-17(20(23)16-9-5-3-6-10-16)21(25-2)18(19)15-22-13-7-4-8-14-22/h3,5-6,9-12H,4,7-8,13-15H2,1-2H3
InChIKey
UFOXEGWJZOOSOJ-UHFFFAOYSA-N
Compound name
[2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 182.5
[M+Na]+ 362.17266 186.6
[M-H]- 338.17616 189.7
[M+NH4]+ 357.21726 193.8
[M+K]+ 378.14660 182.7
[M+H-H2O]+ 322.18070 172.0
[M+HCOO]- 384.18164 199.8
[M+CH3COO]- 398.19729 212.2
[M+Na-2H]- 360.15811 182.9
[M]+ 339.18289 181.5
[M]- 339.18399 181.5
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.