CID 22293217

781649-86-3

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(N=CC=C2)N
InChI
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)18-12-5-4-8-17-13(12)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKey
NRYFFLQIEZSPBO-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

292.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 171.6
[M+Na]+ 315.17912 175.4
[M-H]- 291.18262 174.4
[M+NH4]+ 310.22372 183.4
[M+K]+ 331.15306 172.7
[M+H-H2O]+ 275.18716 162.5
[M+HCOO]- 337.18810 188.2
[M+CH3COO]- 351.20375 205.8
[M+Na-2H]- 313.16457 174.5
[M]+ 292.18935 167.0
[M]- 292.19045 167.0
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