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]+ 369.21728 190.3
[M+Na]+ 391.19922 195.7
[M-H]- 367.20272 199.5
[M+NH4]+ 386.24382 203.3
[M+K]+ 407.17316 191.7
[M+H-H2O]+ 351.20726 179.8
[M+HCOO]- 413.20820 213.1
[M+CH3COO]- 427.22385 221.6
[M+Na-2H]- 389.18467 190.0
[M]+ 368.20945 194.0
[M]- 368.21055 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