CID 50986487

Tert-butyl n-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-8-20(9-7-13)14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3,(H,19,21)
InChIKey
FHVJGMSJNPXNSJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

302.1743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.181576 173.6
[M+Na]+ 325.163518 179.5
[M-H]- 301.167024 175.3
[M+NH4]+ 320.208123 183.8
[M+K]+ 341.137458 175.9
[M+H-H2O]+ 285.171560 157.9
[M+HCOO]- 347.172501 186.1
[M+CH3COO]- 361.188151 215.2
[M+Na-2H]- 323.148966 175.8
[M]+ 302.17375142 165.6
[M]- 302.17484858 165.6
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

patents stripe