CID 10966132

(2r,5r)-2,5-diphenylpyrrolidine

Structural Information

Molecular Formula
C16H17N
SMILES
C1C[C@@H](N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-/m1/s1
InChIKey
NAOGHMNKMJMMNQ-HZPDHXFCSA-N
Compound name
(2R,5R)-2,5-diphenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 151.1
[M+Na]+ 246.12532 156.7
[M-H]- 222.12882 157.6
[M+NH4]+ 241.16992 168.4
[M+K]+ 262.09926 151.1
[M+H-H2O]+ 206.13336 142.8
[M+HCOO]- 268.13430 171.4
[M+CH3COO]- 282.14995 162.6
[M+Na-2H]- 244.11077 154.6
[M]+ 223.13555 145.2
[M]- 223.13665 145.2
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