CID 208836

Difeterol

Structural Information

Molecular Formula
C25H29NO2
SMILES
CC(C(C1=CC=CC=C1)O)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO2/c1-20(24(27)21-12-6-3-7-13-21)26(2)18-19-28-25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-25,27H,18-19H2,1-2H3
InChIKey
OEHKWMHRFWWMQK-UHFFFAOYSA-N
Compound name
2-[2-benzhydryloxyethyl(methyl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

83
Patents

375.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 194.7
[M+Na]+ 398.20904 195.2
[M-H]- 374.21254 202.4
[M+NH4]+ 393.25364 204.5
[M+K]+ 414.18298 191.5
[M+H-H2O]+ 358.21708 184.1
[M+HCOO]- 420.21802 213.8
[M+CH3COO]- 434.23367 222.9
[M+Na-2H]- 396.19449 194.9
[M]+ 375.21927 194.3
[M]- 375.22037 194.3
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.