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]+ 333.25365 183.5
[M+Na]+ 355.23559 186.4
[M-H]- 331.23909 189.3
[M+NH4]+ 350.28019 196.3
[M+K]+ 371.20953 183.7
[M+H-H2O]+ 315.24363 173.3
[M+HCOO]- 377.24457 197.6
[M+CH3COO]- 391.26022 208.5
[M+Na-2H]- 353.22104 183.1
[M]+ 332.24582 181.1
[M]- 332.24692 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.