CID 3040811

52963-49-2

Structural Information

Molecular Formula
C19H24N2
SMILES
CCN[C@@H]1CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-2-20-18-13-14-21(15-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20H,2,13-15H2,1H3/t18-/m1/s1
InChIKey
ZYLFUOYKGALLNE-GOSISDBHSA-N
Compound name
(3R)-1-benzhydryl-N-ethylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 168.0
[M+Na]+ 303.183158 171.3
[M-H]- 279.186664 175.3
[M+NH4]+ 298.227763 183.2
[M+K]+ 319.157098 166.4
[M+H-H2O]+ 263.191200 158.4
[M+HCOO]- 325.192141 188.7
[M+CH3COO]- 339.207791 178.1
[M+Na-2H]- 301.168606 169.7
[M]+ 280.19339142 163.7
[M]- 280.19448858 163.7
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

No patent data available for this compound.