CID 42715

2,4-dimethoxy-3-morpholinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)CN3CCOCC3
InChI
InChI=1S/C20H23NO4/c1-23-18-9-8-16(19(22)15-6-4-3-5-7-15)20(24-2)17(18)14-21-10-12-25-13-11-21/h3-9H,10-14H2,1-2H3
InChIKey
XPQLNAGFVHQYLU-UHFFFAOYSA-N
Compound name
[2,4-dimethoxy-3-(morpholin-4-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.7
[M+Na]+ 364.15194 186.3
[M-H]- 340.15544 189.8
[M+NH4]+ 359.19654 191.6
[M+K]+ 380.12588 184.2
[M+H-H2O]+ 324.15998 171.2
[M+HCOO]- 386.16092 198.7
[M+CH3COO]- 400.17657 211.5
[M+Na-2H]- 362.13739 183.4
[M]+ 341.16217 182.4
[M]- 341.16327 182.4
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.