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]+ 436.25948 205.4
[M+Na]+ 458.24142 203.0
[M-H]- 434.24492 213.2
[M+NH4]+ 453.28602 212.4
[M+K]+ 474.21536 198.6
[M+H-H2O]+ 418.24946 192.8
[M+HCOO]- 480.25040 219.1
[M+CH3COO]- 494.26605 229.8
[M+Na-2H]- 456.22687 205.5
[M]+ 435.25165 195.8
[M]- 435.25275 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.