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 167.3
[M+Na]+ 297.13219 175.8
[M-H]- 273.13569 167.5
[M+NH4]+ 292.17679 179.9
[M+K]+ 313.10613 172.1
[M+H-H2O]+ 257.14023 153.1
[M+HCOO]- 319.14117 179.6
[M+CH3COO]- 333.15682 211.7
[M+Na-2H]- 295.11764 170.3
[M]+ 274.14242 160.7
[M]- 274.14352 160.7
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.