CID 2756608

(1r,2s)-n-benzyl-2-amino-1,2-diphenylethanol

Structural Information

Molecular Formula
C21H21NO
SMILES
C1=CC=C(C=C1)CN[C@@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O
InChI
InChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m0/s1
InChIKey
KKJGAZRIFJEPKA-LEWJYISDSA-N
Compound name
(1R,2S)-2-(benzylamino)-1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 172.6
[M+Na]+ 326.15154 175.4
[M-H]- 302.15504 179.7
[M+NH4]+ 321.19614 185.1
[M+K]+ 342.12548 169.8
[M+H-H2O]+ 286.15958 163.3
[M+HCOO]- 348.16052 193.5
[M+CH3COO]- 362.17617 182.1
[M+Na-2H]- 324.13699 177.0
[M]+ 303.16177 168.9
[M]- 303.16287 168.9
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