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]+ 304.169596 172.6
[M+Na]+ 326.151538 175.4
[M-H]- 302.155044 179.7
[M+NH4]+ 321.196143 185.1
[M+K]+ 342.125478 169.8
[M+H-H2O]+ 286.159580 163.3
[M+HCOO]- 348.160521 193.5
[M+CH3COO]- 362.176171 182.1
[M+Na-2H]- 324.136986 177.0
[M]+ 303.16177142 168.9
[M]- 303.16286858 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