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-cyanopyridin-2-yl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

302.1743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 173.6
[M+Na]+ 325.16352 179.5
[M-H]- 301.16702 175.3
[M+NH4]+ 320.20812 183.8
[M+K]+ 341.13746 175.9
[M+H-H2O]+ 285.17156 157.9
[M+HCOO]- 347.17250 186.1
[M+CH3COO]- 361.18815 215.2
[M+Na-2H]- 323.14897 175.8
[M]+ 302.17375 165.6
[M]- 302.17485 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