CID 13362277

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

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCC1=CC=CC=C1OCC2CC(=NCCC3=CC(=C(C=C3)OC)OC)N(C2)C
InChI
InChI=1S/C24H32N2O3/c1-5-20-8-6-7-9-21(20)29-17-19-15-24(26(2)16-19)25-13-12-18-10-11-22(27-3)23(14-18)28-4/h6-11,14,19H,5,12-13,15-17H2,1-4H3
InChIKey
CCTFOCOMBPKEBJ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

396.2413 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 199.4
[M+Na]+ 419.230518 204.8
[M-H]- 395.234024 208.6
[M+NH4]+ 414.275123 211.5
[M+K]+ 435.204458 200.5
[M+H-H2O]+ 379.238560 188.8
[M+HCOO]- 441.239501 221.5
[M+CH3COO]- 455.255151 228.7
[M+Na-2H]- 417.215966 197.3
[M]+ 396.24075142 204.2
[M]- 396.24184858 204.2
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