CID 208217

Morpholine, 4-(o-benzoylbenzoyl)

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1COCCN1C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c20-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18(21)19-10-12-22-13-11-19/h1-9H,10-13H2
InChIKey
KTGRJLVKPKILSZ-UHFFFAOYSA-N
Compound name
[2-(morpholine-4-carbonyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

295.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 168.4
[M+Na]+ 318.110068 172.3
[M-H]- 294.113574 176.2
[M+NH4]+ 313.154673 179.6
[M+K]+ 334.084008 169.9
[M+H-H2O]+ 278.118110 158.5
[M+HCOO]- 340.119051 185.2
[M+CH3COO]- 354.134701 200.6
[M+Na-2H]- 316.095516 171.4
[M]+ 295.12030142 164.8
[M]- 295.12139858 164.8
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.