CID 13362269

1-methyl-4-(2-benzofuryl)-2-phenethyliminopyrrolidine methanesulfonate

Structural Information

Molecular Formula
C21H22N2O
SMILES
CN1CC(CC1=NCCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C21H22N2O/c1-23-15-18(20-13-17-9-5-6-10-19(17)24-20)14-21(23)22-12-11-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14-15H2,1H3
InChIKey
ATXWLPOYZFEXII-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-1-methyl-N-(2-phenylethyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 176.6
[M+Na]+ 341.16244 191.3
[M+NH4]+ 336.20704 186.0
[M+K]+ 357.13638 185.6
[M-H]- 317.16594 185.1
[M+Na-2H]- 339.14789 185.4
[M]+ 318.17267 181.3
[M]- 318.17377 181.3
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