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]+ 312.15941 174.1
[M+Na]+ 334.14135 178.4
[M-H]- 310.14485 182.0
[M+NH4]+ 329.18595 185.0
[M+K]+ 350.11529 175.8
[M+H-H2O]+ 294.14939 163.8
[M+HCOO]- 356.15033 191.3
[M+CH3COO]- 370.16598 205.2
[M+Na-2H]- 332.12680 176.9
[M]+ 311.15158 172.6
[M]- 311.15268 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.