CID 42711

2,4-dimethoxy-3-(1-pyrrolidinylmethyl)benzophenone hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)CN3CCCC3
InChI
InChI=1S/C20H23NO3/c1-23-18-11-10-16(19(22)15-8-4-3-5-9-15)20(24-2)17(18)14-21-12-6-7-13-21/h3-5,8-11H,6-7,12-14H2,1-2H3
InChIKey
QCNGIXDQIRMXTA-UHFFFAOYSA-N
Compound name
[2,4-dimethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.0
[M+Na]+ 348.15702 183.5
[M-H]- 324.16052 186.0
[M+NH4]+ 343.20162 192.0
[M+K]+ 364.13096 179.7
[M+H-H2O]+ 308.16506 168.6
[M+HCOO]- 370.16600 198.0
[M+CH3COO]- 384.18165 208.6
[M+Na-2H]- 346.14247 177.3
[M]+ 325.16725 179.0
[M]- 325.16835 179.0
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.