CID 42705

4-methoxy-3-morpholinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula
C19H21NO3
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)CN3CCOCC3
InChI
InChI=1S/C19H21NO3/c1-22-18-8-7-16(19(21)15-5-3-2-4-6-15)13-17(18)14-20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKey
JPKQJSIBCFJPDD-UHFFFAOYSA-N
Compound name
[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

311.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 174.1
[M+Na]+ 334.141348 178.4
[M-H]- 310.144854 182.0
[M+NH4]+ 329.185953 185.0
[M+K]+ 350.115288 175.8
[M+H-H2O]+ 294.149390 163.8
[M+HCOO]- 356.150331 191.3
[M+CH3COO]- 370.165981 205.2
[M+Na-2H]- 332.126796 176.9
[M]+ 311.15158142 172.6
[M]- 311.15267858 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.