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]+ 379.201616 191.9
[M+Na]+ 401.183558 200.1
[M-H]- 377.187064 203.9
[M+NH4]+ 396.228163 206.4
[M+K]+ 417.157498 196.5
[M+H-H2O]+ 361.191600 183.1
[M+HCOO]- 423.192541 215.4
[M+CH3COO]- 437.208191 203.5
[M+Na-2H]- 399.169006 191.8
[M]+ 378.19379142 198.1
[M]- 378.19488858 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