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]+ 382.212506 192.3
[M+Na]+ 404.194448 193.6
[M-H]- 380.197954 198.8
[M+NH4]+ 399.239053 202.6
[M+K]+ 420.168388 189.9
[M+H-H2O]+ 364.202490 181.4
[M+HCOO]- 426.203431 210.7
[M+CH3COO]- 440.219081 220.7
[M+Na-2H]- 402.179896 195.0
[M]+ 381.20468142 188.4
[M]- 381.20577858 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.