CID 384973

Nsc675803

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3
InChI
InChI=1S/C12H11N3O2/c1-2-15-8-6-4-3-5-7(8)10-9(12(15)17)11(16)14-13-10/h3-6H,2H2,1H3,(H2,13,14,16)
InChIKey
VWCPQHLSFLCVJG-UHFFFAOYSA-N
Compound name
5-ethyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 148.7
[M+Na]+ 252.07435 161.9
[M-H]- 228.07785 149.2
[M+NH4]+ 247.11895 166.1
[M+K]+ 268.04829 155.3
[M+H-H2O]+ 212.08239 141.5
[M+HCOO]- 274.08333 167.9
[M+CH3COO]- 288.09898 161.4
[M+Na-2H]- 250.05980 155.8
[M]+ 229.08458 150.4
[M]- 229.08568 150.4
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

No patent data available for this compound.