CID 9925949

(s)-(-)-1-benzyl-2,2-diphenylethylamine

Structural Information

Molecular Formula
C21H21N
SMILES
C1=CC=C(C=C1)C[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C21H21N/c22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21H,16,22H2/t20-/m0/s1
InChIKey
HPRWGZYKYRRJNU-FQEVSTJZSA-N
Compound name
(2S)-1,1,3-triphenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.1674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.174676 170.1
[M+Na]+ 310.156618 173.5
[M-H]- 286.160124 178.1
[M+NH4]+ 305.201223 183.8
[M+K]+ 326.130558 167.7
[M+H-H2O]+ 270.164660 160.8
[M+HCOO]- 332.165601 191.7
[M+CH3COO]- 346.181251 180.1
[M+Na-2H]- 308.142066 173.9
[M]+ 287.16685142 165.9
[M]- 287.16794858 165.9
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