CID 13362257

1-methyl-4-phenyl-2-phenylethyliminopyrrolidine hydrogen fumarate

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

CN1CC(CC1=NCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2/c1-21-15-18(17-10-6-3-7-11-17)14-19(21)20-13-12-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3

InChIKey

PSJODNUOWQBPMZ-UHFFFAOYSA-N

Compound name

1-methyl-4-phenyl-N-(2-phenylethyl)pyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.17828 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.185556	167.3
[M+Na]+	301.167498	172.7
[M-H]-	277.171004	176.3
[M+NH4]+	296.212103	183.7
[M+K]+	317.141438	167.5
[M+H-H2O]+	261.175540	157.5
[M+HCOO]-	323.176481	190.7
[M+CH3COO]-	337.192131	178.6
[M+Na-2H]-	299.152946	169.7
[M]+	278.17773142	165.0
[M]-	278.17882858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe