CID 13362259

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

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN1CC(CC1=NCCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-21-15-17(16-8-4-2-5-9-16)14-19(21)20-12-13-22-18-10-6-3-7-11-18/h2-11,17H,12-15H2,1H3
InChIKey
IFYHADVQHXGZKA-UHFFFAOYSA-N
Compound name
1-methyl-N-(2-phenoxyethyl)-4-phenylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 170.5
[M+Na]+ 317.162438 175.8
[M-H]- 293.165944 179.5
[M+NH4]+ 312.207043 186.1
[M+K]+ 333.136378 171.2
[M+H-H2O]+ 277.170480 160.5
[M+HCOO]- 339.171421 194.1
[M+CH3COO]- 353.187071 206.2
[M+Na-2H]- 315.147886 173.0
[M]+ 294.17267142 169.6
[M]- 294.17376858 169.6
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