CID 5271560

Chembl3273930

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC1(C(=O)CC(C(O1)OC)N2CCOCC2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO4/c1-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)21(25)16-20(22(26-2)28-23)24-12-14-27-15-13-24/h3-11,20,22H,12-16H2,1-2H3
InChIKey
OJXUZWPZAHUBKO-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 194.5
[M+Na]+ 404.18322 198.5
[M-H]- 380.18672 205.7
[M+NH4]+ 399.22782 202.9
[M+K]+ 420.15716 196.9
[M+H-H2O]+ 364.19126 182.7
[M+HCOO]- 426.19220 207.3
[M+CH3COO]- 440.20785 202.9
[M+Na-2H]- 402.16867 195.6
[M]+ 381.19345 191.1
[M]- 381.19455 191.1
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.