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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.3
[M+Na]+ 301.16750 172.7
[M-H]- 277.17100 176.3
[M+NH4]+ 296.21210 183.7
[M+K]+ 317.14144 167.5
[M+H-H2O]+ 261.17554 157.5
[M+HCOO]- 323.17648 190.7
[M+CH3COO]- 337.19213 178.6
[M+Na-2H]- 299.15295 169.7
[M]+ 278.17773 165.0
[M]- 278.17883 165.0
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