CID 3050172

Compound 828-369

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CCC(=O)OC1(CCN(CC1)CCNC2=CC=CC=C2C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C24H31N3O3/c1-3-22(28)30-24(19-9-5-4-6-10-19)13-16-27(17-14-24)18-15-26-21-12-8-7-11-20(21)23(29)25-2/h4-12,26H,3,13-18H2,1-2H3,(H,25,29)
InChIKey
QHTRIMGJEXXWAM-UHFFFAOYSA-N
Compound name
[1-[2-[2-(methylcarbamoyl)anilino]ethyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.23654 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24382 202.1
[M+Na]+ 432.22576 212.1
[M+NH4]+ 427.27036 209.0
[M+K]+ 448.19970 203.0
[M-H]- 408.22926 207.3
[M+Na-2H]- 430.21121 210.4
[M]+ 409.23599 204.8
[M]- 409.23709 204.8
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