CID 3869797

2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol

Structural Information

Molecular Formula
C17H21NO2
SMILES
C1=CC=C(C=C1)CN(CCO)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO2/c19-12-11-18(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChIKey
YACKUJVZHUOMIV-UHFFFAOYSA-N
Compound name
2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

271.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.9
[M+Na]+ 294.146448 168.1
[M-H]- 270.149954 169.2
[M+NH4]+ 289.191053 179.3
[M+K]+ 310.120388 164.6
[M+H-H2O]+ 254.154490 156.7
[M+HCOO]- 316.155431 186.2
[M+CH3COO]- 330.171081 199.1
[M+Na-2H]- 292.131896 168.8
[M]+ 271.15668142 163.9
[M]- 271.15777858 163.9
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