CID 3044734

Brn 0502574

Structural Information

Molecular Formula
C26H33N3O3
SMILES
C1CCC(CC1)OC(=O)C2(CCN(CC2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C26H33N3O3/c30-24(32-23-14-8-3-9-15-23)26(28-25(31)27-22-12-6-2-7-13-22)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H2,27,28,31)
InChIKey
IZDOTJDVWHEWGY-UHFFFAOYSA-N
Compound name
cyclohexyl 1-benzyl-4-(phenylcarbamoylamino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.2522 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.259476 205.4
[M+Na]+ 458.241418 203.0
[M-H]- 434.244924 213.2
[M+NH4]+ 453.286023 212.4
[M+K]+ 474.215358 198.6
[M+H-H2O]+ 418.249460 192.8
[M+HCOO]- 480.250401 219.1
[M+CH3COO]- 494.266051 229.8
[M+Na-2H]- 456.226866 205.5
[M]+ 435.25165142 195.8
[M]- 435.25274858 195.8
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

No patent data available for this compound.