CID 200312

Brn 1015733

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCCC1(CCN(C1)CCN2CCOCC2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H32N2O2/c1-3-7-20(18-5-4-6-19(16-18)23-2)8-9-22(17-20)11-10-21-12-14-24-15-13-21/h4-6,16H,3,7-15,17H2,1-2H3
InChIKey
NKRJWNNUZZJGQW-UHFFFAOYSA-N
Compound name
4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.253646 183.5
[M+Na]+ 355.235588 186.4
[M-H]- 331.239094 189.3
[M+NH4]+ 350.280193 196.3
[M+K]+ 371.209528 183.7
[M+H-H2O]+ 315.243630 173.3
[M+HCOO]- 377.244571 197.6
[M+CH3COO]- 391.260221 208.5
[M+Na-2H]- 353.221036 183.1
[M]+ 332.24582142 181.1
[M]- 332.24691858 181.1
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

No patent data available for this compound.