CID 13362260

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

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-23-15-18(17-7-5-4-6-8-17)14-21(23)22-12-11-16-9-10-19(24-2)20(13-16)25-3/h4-10,13,18H,11-12,14-15H2,1-3H3
InChIKey
IICHICITLZWXEB-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-phenylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

338.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.0
[M+Na]+ 361.188648 189.1
[M-H]- 337.192154 192.4
[M+NH4]+ 356.233253 197.3
[M+K]+ 377.162588 184.7
[M+H-H2O]+ 321.196690 173.0
[M+HCOO]- 383.197631 206.0
[M+CH3COO]- 397.213281 216.6
[M+Na-2H]- 359.174096 183.1
[M]+ 338.19888142 185.0
[M]- 338.19997858 185.0
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