CID 20165176

1-ethyl-4-phenyl-2-(3',4'-dimethoxyphenethylimino)pyrrolidine phosphate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-4-24-16-19(18-8-6-5-7-9-18)15-22(24)23-13-12-17-10-11-20(25-2)21(14-17)26-3/h5-11,14,19H,4,12-13,15-16H2,1-3H3
InChIKey
PIEGMQAFEGHJNR-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-phenylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

352.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.5
[M+Na]+ 375.20432 193.1
[M-H]- 351.20782 196.7
[M+NH4]+ 370.24892 201.2
[M+K]+ 391.17826 188.5
[M+H-H2O]+ 335.21236 177.2
[M+HCOO]- 397.21330 210.2
[M+CH3COO]- 411.22895 219.5
[M+Na-2H]- 373.18977 187.0
[M]+ 352.21455 189.8
[M]- 352.21565 189.8
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