CID 121229338

1330764-93-6

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCOC(=O)C1=C2CCN(CC2=CN=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H22N2O4/c1-5-21-14(19)13-9-17-8-11-10-18(7-6-12(11)13)15(20)22-16(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKey
ZHNNGEYRNANOCS-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 5-O-ethyl 3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 172.8
[M+Na]+ 329.147178 178.8
[M-H]- 305.150684 174.0
[M+NH4]+ 324.191783 186.2
[M+K]+ 345.121118 177.2
[M+H-H2O]+ 289.155220 165.0
[M+HCOO]- 351.156161 187.0
[M+CH3COO]- 365.171811 204.2
[M+Na-2H]- 327.132626 176.1
[M]+ 306.15741142 175.3
[M]- 306.15850858 175.3
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.