CID 217580

38940-47-5

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1COCCN1CCCC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c23-21(19-10-5-2-6-11-19)20(18-8-3-1-4-9-18)12-7-13-22-14-16-24-17-15-22/h1-6,8-11,20H,7,12-17H2
InChIKey
VVUFQNLRWAADSI-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-1,2-diphenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.8
[M+Na]+ 346.17776 181.1
[M-H]- 322.18126 186.4
[M+NH4]+ 341.22236 189.4
[M+K]+ 362.15170 177.8
[M+H-H2O]+ 306.18580 169.0
[M+HCOO]- 368.18674 195.0
[M+CH3COO]- 382.20239 207.5
[M+Na-2H]- 344.16321 181.7
[M]+ 323.18799 176.0
[M]- 323.18909 176.0
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.