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

7
Patents

271.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.9
[M+Na]+ 294.14645 168.1
[M-H]- 270.14995 169.2
[M+NH4]+ 289.19105 179.3
[M+K]+ 310.12039 164.6
[M+H-H2O]+ 254.15449 156.7
[M+HCOO]- 316.15543 186.2
[M+CH3COO]- 330.17108 199.1
[M+Na-2H]- 292.13190 168.8
[M]+ 271.15668 163.9
[M]- 271.15778 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