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

17
Patents

333.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 180.3
[M+Na]+ 356.162098 183.7
[M-H]- 332.165604 187.6
[M+NH4]+ 351.206703 191.9
[M+K]+ 372.136038 178.1
[M+H-H2O]+ 316.170140 170.4
[M+HCOO]- 378.171081 202.1
[M+CH3COO]- 392.186731 210.4
[M+Na-2H]- 354.147546 184.6
[M]+ 333.17233142 179.3
[M]- 333.17342858 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