CID 5271564

Chembl3273934

Structural Information

Molecular Formula
C23H29NO4
SMILES
CC1(C(CC(C(O1)OC)N2CCOCC2)O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO4/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/h3-11,20-22,25H,12-16H2,1-2H3
InChIKey
BKTMHLZVNAXAGT-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.20966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 195.7
[M+Na]+ 406.19888 199.1
[M-H]- 382.20238 205.6
[M+NH4]+ 401.24348 203.5
[M+K]+ 422.17282 197.2
[M+H-H2O]+ 366.20692 184.2
[M+HCOO]- 428.20786 206.9
[M+CH3COO]- 442.22351 203.4
[M+Na-2H]- 404.18433 196.5
[M]+ 383.20911 191.3
[M]- 383.21021 191.3
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.