CID 3044665

Brn 0498783

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C22H27N3O3/c1-2-28-20(26)22(24-21(27)23-19-11-7-4-8-12-19)13-15-25(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H2,23,24,27)
InChIKey
YCHORZJCCDRYDJ-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-(phenylcarbamoylamino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 192.3
[M+Na]+ 404.19445 193.6
[M-H]- 380.19795 198.8
[M+NH4]+ 399.23905 202.6
[M+K]+ 420.16839 189.9
[M+H-H2O]+ 364.20249 181.4
[M+HCOO]- 426.20343 210.7
[M+CH3COO]- 440.21908 220.7
[M+Na-2H]- 402.17990 195.0
[M]+ 381.20468 188.4
[M]- 381.20578 188.4
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.