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 155.7
[M+Na]+ 280.06927 167.9
[M-H]- 256.07277 156.1
[M+NH4]+ 275.11387 171.6
[M+K]+ 296.04321 162.3
[M+H-H2O]+ 240.07731 148.4
[M+HCOO]- 302.07825 173.7
[M+CH3COO]- 316.09390 167.7
[M+Na-2H]- 278.05472 161.3
[M]+ 257.07950 158.6
[M]- 257.08060 158.6
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