CID 13362268

1-methyl-4-(2-benzofuryl)-2-(2-methoxyethylimino)pyrrolidine hydrogen fumarate

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CN1CC(CC1=NCCOC)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H20N2O2/c1-18-11-13(10-16(18)17-7-8-19-2)15-9-12-5-3-4-6-14(12)20-15/h3-6,9,13H,7-8,10-11H2,1-2H3
InChIKey
VBXZJTTVEHNGHX-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.15247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 162.6
[M+Na]+ 295.141688 171.2
[M-H]- 271.145194 171.3
[M+NH4]+ 290.186293 181.6
[M+K]+ 311.115628 168.9
[M+H-H2O]+ 255.149730 155.4
[M+HCOO]- 317.150671 187.2
[M+CH3COO]- 331.166321 202.2
[M+Na-2H]- 293.127136 165.7
[M]+ 272.15192142 166.9
[M]- 272.15301858 166.9
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