CID 3050170

2-(2-(4-propionoxy-4-phenylpiperidyl)ethylamino)benzamide

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CCC(=O)OC1(CCN(CC1)CCNC2=CC=CC=C2C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C23H29N3O3/c1-2-21(27)29-23(18-8-4-3-5-9-18)12-15-26(16-13-23)17-14-25-20-11-7-6-10-19(20)22(24)28/h3-11,25H,2,12-17H2,1H3,(H2,24,28)
InChIKey
QFPZJRUQCXEQCI-UHFFFAOYSA-N
Compound name
[1-[2-(2-carbamoylanilino)ethyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.2209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 196.9
[M+Na]+ 418.21012 198.5
[M-H]- 394.21362 203.0
[M+NH4]+ 413.25472 206.5
[M+K]+ 434.18406 194.3
[M+H-H2O]+ 378.21816 186.1
[M+HCOO]- 440.21910 214.2
[M+CH3COO]- 454.23475 225.6
[M+Na-2H]- 416.19557 197.3
[M]+ 395.22035 192.9
[M]- 395.22145 192.9
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