CID 13362274

1-methyl-4-phenoxymethyl-2-(3',4'-dimethoxyphenethylimino)pyrrolidine phosphate

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)COC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c1-24-15-18(16-27-19-7-5-4-6-8-19)14-22(24)23-12-11-17-9-10-20(25-2)21(13-17)26-3/h4-10,13,18H,11-12,14-16H2,1-3H3
InChIKey
ZUNLAVZHIJHIBE-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(phenoxymethyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

368.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 190.3
[M+Na]+ 391.199218 195.7
[M-H]- 367.202724 199.5
[M+NH4]+ 386.243823 203.3
[M+K]+ 407.173158 191.7
[M+H-H2O]+ 351.207260 179.8
[M+HCOO]- 413.208201 213.1
[M+CH3COO]- 427.223851 221.6
[M+Na-2H]- 389.184666 190.0
[M]+ 368.20945142 194.0
[M]- 368.21054858 194.0
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