CID 3047254

Brn 0755415

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)N4C=C(C=CC4=N3)C(=O)O
InChI
InChI=1S/C17H10N2O3/c20-16-13-7-10-3-1-2-4-11(10)8-14(13)18-15-6-5-12(17(21)22)9-19(15)16/h1-9H,(H,21,22)
InChIKey
IJWCTZFTYWGBBO-UHFFFAOYSA-N
Compound name
12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

290.06915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.076426 162.9
[M+Na]+ 313.058368 174.8
[M-H]- 289.061874 166.3
[M+NH4]+ 308.102973 178.0
[M+K]+ 329.032308 168.6
[M+H-H2O]+ 273.066410 153.8
[M+HCOO]- 335.067351 180.9
[M+CH3COO]- 349.083001 174.7
[M+Na-2H]- 311.043816 172.7
[M]+ 290.06860142 166.0
[M]- 290.06969858 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.