CID 66654361

1268868-36-5

Structural Information

Molecular Formula
C22H23NO2
SMILES
C1=CC=C(C=C1)CNCC(C2=CC(=CC=C2)OCC3=CC=CC=C3)O
InChI
InChI=1S/C22H23NO2/c24-22(16-23-15-18-8-3-1-4-9-18)20-12-7-13-21(14-20)25-17-19-10-5-2-6-11-19/h1-14,22-24H,15-17H2
InChIKey
IMXPVDJTXSLWFX-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(3-phenylmethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

333.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 180.3
[M+Na]+ 356.16210 183.7
[M-H]- 332.16560 187.6
[M+NH4]+ 351.20670 191.9
[M+K]+ 372.13604 178.1
[M+H-H2O]+ 316.17014 170.4
[M+HCOO]- 378.17108 202.1
[M+CH3COO]- 392.18673 210.4
[M+Na-2H]- 354.14755 184.6
[M]+ 333.17233 179.3
[M]- 333.17343 179.3
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

patents stripe