CID 3053394

Brn 0811410

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C=CN1C=C(C(=O)C2=C1C=CC3=C2NN=C3)C(=O)O
InChI
InChI=1S/C13H9N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h2-6H,1H2,(H,14,15)(H,18,19)
InChIKey
MNCHQZRONIRUIM-UHFFFAOYSA-N
Compound name
6-ethenyl-9-oxo-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.06439 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07167 154.8
[M+Na]+ 278.05361 167.2
[M-H]- 254.05711 155.2
[M+NH4]+ 273.09821 170.6
[M+K]+ 294.02755 161.0
[M+H-H2O]+ 238.06165 147.5
[M+HCOO]- 300.06259 172.9
[M+CH3COO]- 314.07824 166.8
[M+Na-2H]- 276.03906 160.3
[M]+ 255.06384 156.9
[M]- 255.06494 156.9
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

patents stripe