CID 145866903

2138423-88-6

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C(=NC=C2C1)N)C#N
InChI
InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)18-5-4-10-9(8-18)7-17-12(16)11(10)6-15/h7H,4-5,8H2,1-3H3,(H2,16,17)
InChIKey
OIQZSEMFTQYABK-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-5-cyano-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 166.9
[M+Na]+ 297.13219 176.7
[M+NH4]+ 292.17679 169.6
[M+K]+ 313.10613 169.0
[M-H]- 273.13569 159.9
[M+Na-2H]- 295.11764 167.4
[M]+ 274.14242 165.3
[M]- 274.14352 165.3
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.