CID 39243263

(1s)-1-phenyl-2-(phenylamino)ethan-1-ol

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)[C@@H](CNC2=CC=CC=C2)O
InChI
InChI=1S/C14H15NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1-10,14-16H,11H2/t14-/m1/s1
InChIKey
GGMOJBRNGQDSQN-CQSZACIVSA-N
Compound name
(1S)-2-anilino-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

213.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.4
[M+Na]+ 236.10459 152.4
[M-H]- 212.10809 152.3
[M+NH4]+ 231.14919 164.4
[M+K]+ 252.07853 148.5
[M+H-H2O]+ 196.11263 140.0
[M+HCOO]- 258.11357 170.5
[M+CH3COO]- 272.12922 187.2
[M+Na-2H]- 234.09004 154.2
[M]+ 213.11482 144.7
[M]- 213.11592 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe