CID 3076611

4-phenoxy-alpha-(((4-(phenylmethyl)-2-morpholinyl)methoxy)methyl)benzenemethanol

Structural Information

Molecular Formula
C26H29NO4
SMILES
C1COC(CN1CC2=CC=CC=C2)COCC(C3=CC=C(C=C3)OC4=CC=CC=C4)O
InChI
InChI=1S/C26H29NO4/c28-26(22-11-13-24(14-12-22)31-23-9-5-2-6-10-23)20-29-19-25-18-27(15-16-30-25)17-21-7-3-1-4-8-21/h1-14,25-26,28H,15-20H2
InChIKey
RWHLCDVIVKTWGA-UHFFFAOYSA-N
Compound name
2-[(4-benzylmorpholin-2-yl)methoxy]-1-(4-phenoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21694 202.8
[M+Na]+ 442.19888 204.0
[M-H]- 418.20238 211.2
[M+NH4]+ 437.24348 207.5
[M+K]+ 458.17282 200.1
[M+H-H2O]+ 402.20692 190.1
[M+HCOO]- 464.20786 216.9
[M+CH3COO]- 478.22351 209.3
[M+Na-2H]- 440.18433 203.8
[M]+ 419.20911 200.8
[M]- 419.21021 200.8
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.