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

5
Patents

396.2413 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 199.4
[M+Na]+ 419.23052 204.8
[M-H]- 395.23402 208.6
[M+NH4]+ 414.27512 211.5
[M+K]+ 435.20446 200.5
[M+H-H2O]+ 379.23856 188.8
[M+HCOO]- 441.23950 221.5
[M+CH3COO]- 455.25515 228.7
[M+Na-2H]- 417.21597 197.3
[M]+ 396.24075 204.2
[M]- 396.24185 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