CID 3050063

Brn 0892638

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CCN1C=C(C(=O)C2=C1C=CC3=C2NN=C3)C(=O)O
InChI
InChI=1S/C13H11N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h3-6H,2H2,1H3,(H,14,15)(H,18,19)
InChIKey
BQMQDINADYDOCK-UHFFFAOYSA-N
Compound name
6-ethyl-9-oxo-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.08005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 156.1
[M+Na]+ 280.06927 170.1
[M+NH4]+ 275.11387 162.4
[M+K]+ 296.04321 166.5
[M-H]- 256.07277 155.5
[M+Na-2H]- 278.05472 160.1
[M]+ 257.07950 157.7
[M]- 257.08060 157.7
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