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]+ 291.07643 162.9
[M+Na]+ 313.05837 174.8
[M-H]- 289.06187 166.3
[M+NH4]+ 308.10297 178.0
[M+K]+ 329.03231 168.6
[M+H-H2O]+ 273.06641 153.8
[M+HCOO]- 335.06735 180.9
[M+CH3COO]- 349.08300 174.7
[M+Na-2H]- 311.04382 172.7
[M]+ 290.06860 166.0
[M]- 290.06970 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.