CID 5271563

Chembl3273933

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CC1(C(CC(C(O1)OC)N2CCN(CC2)C)O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2O3/c1-24(20-11-9-19(10-12-20)18-7-5-4-6-8-18)22(27)17-21(23(28-3)29-24)26-15-13-25(2)14-16-26/h4-12,21-23,27H,13-17H2,1-3H3
InChIKey
BSGGUNAZMRJFTD-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.2413 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 201.4
[M+Na]+ 419.23052 205.0
[M-H]- 395.23402 209.2
[M+NH4]+ 414.27512 208.8
[M+K]+ 435.20446 201.0
[M+H-H2O]+ 379.23856 188.9
[M+HCOO]- 441.23950 211.5
[M+CH3COO]- 455.25515 208.2
[M+Na-2H]- 417.21597 200.2
[M]+ 396.24075 196.1
[M]- 396.24185 196.1
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.