CID 3064344

102071-57-8

Structural Information

Molecular Formula
C23H37N3O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN2CCN(CC2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H37N3O2/c1-5-22(27)28-23(21-9-7-6-8-10-21)17-20(3)26(18-19(23)2)16-15-25-13-11-24(4)12-14-25/h6-10,19-20H,5,11-18H2,1-4H3
InChIKey
MVBNJZKGJIDOBQ-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.28857 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.29585 200.8
[M+Na]+ 410.27779 203.1
[M-H]- 386.28129 204.3
[M+NH4]+ 405.32239 209.6
[M+K]+ 426.25173 198.7
[M+H-H2O]+ 370.28583 188.9
[M+HCOO]- 432.28677 210.2
[M+CH3COO]- 446.30242 222.5
[M+Na-2H]- 408.26324 197.5
[M]+ 387.28802 196.5
[M]- 387.28912 196.5
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.