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 200.8
[M+Na]+ 432.22576 202.0
[M-H]- 408.22926 207.3
[M+NH4]+ 427.27036 210.2
[M+K]+ 448.19970 198.0
[M+H-H2O]+ 392.23380 189.8
[M+HCOO]- 454.23474 218.4
[M+CH3COO]- 468.25039 228.4
[M+Na-2H]- 430.21121 201.8
[M]+ 409.23599 198.0
[M]- 409.23709 198.0
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