CID 42701

4-methoxy-3-(1-pyrrolidinylmethyl)benzophenone hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)CN3CCCC3
InChI
InChI=1S/C19H21NO2/c1-22-18-10-9-16(19(21)15-7-3-2-4-8-15)13-17(18)14-20-11-5-6-12-20/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKey
BXFUGJYXDNMLFQ-UHFFFAOYSA-N
Compound name
[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 170.6
[M+Na]+ 318.146448 175.9
[M-H]- 294.149954 178.4
[M+NH4]+ 313.191053 185.6
[M+K]+ 334.120388 171.6
[M+H-H2O]+ 278.154490 161.4
[M+HCOO]- 340.155431 190.9
[M+CH3COO]- 354.171081 202.4
[M+Na-2H]- 316.131896 171.0
[M]+ 295.15668142 169.4
[M]- 295.15777858 169.4
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.