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]+ 307.16524 172.8
[M+Na]+ 329.14718 178.8
[M-H]- 305.15068 174.0
[M+NH4]+ 324.19178 186.2
[M+K]+ 345.12112 177.2
[M+H-H2O]+ 289.15522 165.0
[M+HCOO]- 351.15616 187.0
[M+CH3COO]- 365.17181 204.2
[M+Na-2H]- 327.13263 176.1
[M]+ 306.15741 175.3
[M]- 306.15851 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.