CID 13362272

1-methyl-4-(2-benzofuryl)-2-(3',4'-dimethoxyphenethylimino)pyrrolidine hydrogen fumarate

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C23H26N2O3/c1-25-15-18(21-13-17-6-4-5-7-19(17)28-21)14-23(25)24-11-10-16-8-9-20(26-2)22(12-16)27-3/h4-9,12-13,18H,10-11,14-15H2,1-3H3
InChIKey
XXWDHCARVAZSAS-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 191.9
[M+Na]+ 401.18356 200.1
[M-H]- 377.18706 203.9
[M+NH4]+ 396.22816 206.4
[M+K]+ 417.15750 196.5
[M+H-H2O]+ 361.19160 183.1
[M+HCOO]- 423.19254 215.4
[M+CH3COO]- 437.20819 203.5
[M+Na-2H]- 399.16901 191.8
[M]+ 378.19379 198.1
[M]- 378.19489 198.1
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