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]+ 288.17468 170.1
[M+Na]+ 310.15662 173.5
[M-H]- 286.16012 178.1
[M+NH4]+ 305.20122 183.8
[M+K]+ 326.13056 167.7
[M+H-H2O]+ 270.16466 160.8
[M+HCOO]- 332.16560 191.7
[M+CH3COO]- 346.18125 180.1
[M+Na-2H]- 308.14207 173.9
[M]+ 287.16685 165.9
[M]- 287.16795 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