CID 5378015

2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (cis/trans mixture) (>90%)

Structural Information

Molecular Formula
C20H23N
SMILES
C/C=C\1/C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-
InChIKey
AJRJPORIQGYFMT-PVOVUMCXSA-N
Compound name
(2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

87
References

507
Patents

277.18304 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 167.6
[M+Na]+ 300.172258 175.2
[M-H]- 276.175764 176.1
[M+NH4]+ 295.216863 186.2
[M+K]+ 316.146198 169.2
[M+H-H2O]+ 260.180300 159.1
[M+HCOO]- 322.181241 188.4
[M+CH3COO]- 336.196891 179.4
[M+Na-2H]- 298.157706 169.0
[M]+ 277.18249142 165.3
[M]- 277.18358858 165.3
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