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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.150246	167.3
[M+Na]+	297.132188	175.8
[M-H]-	273.135694	167.5
[M+NH4]+	292.176793	179.9
[M+K]+	313.106128	172.1
[M+H-H2O]+	257.140230	153.1
[M+HCOO]-	319.141171	179.6
[M+CH3COO]-	333.156821	211.7
[M+Na-2H]-	295.117636	170.3
[M]+	274.14242142	160.7
[M]-	274.14351858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.