CID 42709

3-diethylaminomethyl-2,4-dimethoxybenzophenone hydrochloride

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCN(CC)CC1=C(C=CC(=C1OC)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C20H25NO3/c1-5-21(6-2)14-17-18(23-3)13-12-16(20(17)24-4)19(22)15-10-8-7-9-11-15/h7-13H,5-6,14H2,1-4H3
InChIKey
MBSYBXVGBVVGLL-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-2,4-dimethoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 179.7
[M+Na]+ 350.172658 185.5
[M-H]- 326.176164 187.5
[M+NH4]+ 345.217263 194.1
[M+K]+ 366.146598 183.3
[M+H-H2O]+ 310.180700 170.7
[M+HCOO]- 372.181641 203.3
[M+CH3COO]- 386.197291 217.9
[M+Na-2H]- 348.158106 180.8
[M]+ 327.18289142 185.5
[M]- 327.18398858 185.5
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.