CID 3041636

Brn 1498733

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN2CCCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H34N2O2/c1-4-21(25)26-22(20-10-6-5-7-11-20)16-19(3)24(17-18(22)2)15-14-23-12-8-9-13-23/h5-7,10-11,18-19H,4,8-9,12-17H2,1-3H3
InChIKey
KWJIPFQQTMYNJB-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 191.6
[M+Na]+ 381.25124 194.4
[M-H]- 357.25474 196.9
[M+NH4]+ 376.29584 204.8
[M+K]+ 397.22518 190.2
[M+H-H2O]+ 341.25928 181.5
[M+HCOO]- 403.26022 205.1
[M+CH3COO]- 417.27587 215.0
[M+Na-2H]- 379.23669 187.8
[M]+ 358.26147 188.3
[M]- 358.26257 188.3
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.