CID 2761112

389117-37-7

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1CN(CC2=C1N=C3C(=C2)C=CC=N3)C(=O)CCC(=O)O
InChI
InChI=1S/C15H15N3O3/c19-13(3-4-14(20)21)18-7-5-12-11(9-18)8-10-2-1-6-16-15(10)17-12/h1-2,6,8H,3-5,7,9H2,(H,20,21)
InChIKey
RBEDQSQRUFHMKD-UHFFFAOYSA-N
Compound name
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.8
[M+Na]+ 308.10055 171.4
[M-H]- 284.10405 164.0
[M+NH4]+ 303.14515 177.2
[M+K]+ 324.07449 167.0
[M+H-H2O]+ 268.10859 155.5
[M+HCOO]- 330.10953 177.4
[M+CH3COO]- 344.12518 199.1
[M+Na-2H]- 306.08600 170.2
[M]+ 285.11078 163.4
[M]- 285.11188 163.4
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.