CID 54595310

Ethyl 2-amino-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CCOC(=O)C1=C(N=C2CCN(CC2=C1)C)N
InChI
InChI=1S/C12H17N3O2/c1-3-17-12(16)9-6-8-7-15(2)5-4-10(8)14-11(9)13/h6H,3-5,7H2,1-2H3,(H2,13,14)
InChIKey
LJFWISFXVYDNAL-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.3
[M+Na]+ 258.12130 161.7
[M-H]- 234.12480 155.5
[M+NH4]+ 253.16590 170.3
[M+K]+ 274.09524 159.0
[M+H-H2O]+ 218.12934 146.4
[M+HCOO]- 280.13028 172.2
[M+CH3COO]- 294.14593 195.1
[M+Na-2H]- 256.10675 158.2
[M]+ 235.13153 153.1
[M]- 235.13263 153.1
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.