CID 73555009

1823424-40-3

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C18H25N3O2/c1-17(2,3)23-16(22)20-18(14-19)9-11-21(12-10-18)13-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H,20,22)
InChIKey
COYPYNWIADPWOZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzyl-4-cyanopiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.201946 179.7
[M+Na]+ 338.183888 185.7
[M-H]- 314.187394 182.8
[M+NH4]+ 333.228493 192.5
[M+K]+ 354.157828 181.0
[M+H-H2O]+ 298.191930 165.3
[M+HCOO]- 360.192871 193.1
[M+CH3COO]- 374.208521 216.5
[M+Na-2H]- 336.169336 182.6
[M]+ 315.19412142 172.1
[M]- 315.19521858 172.1
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.