CID 135407994

Ethyl 5-oxo-1h,5h-pyrazolo[1,5-a]quinazoline-3-carboxylate

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CCOC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1
InChI
InChI=1S/C13H11N3O3/c1-2-19-13(18)9-7-14-16-10-6-4-3-5-8(10)12(17)15-11(9)16/h3-7H,2H2,1H3,(H,15,17)
InChIKey
IIXIEYBXSSHPQB-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

32
Patents

257.08005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 155.1
[M+Na]+ 280.06927 166.9
[M-H]- 256.07277 156.5
[M+NH4]+ 275.11387 171.5
[M+K]+ 296.04321 162.1
[M+H-H2O]+ 240.07731 147.2
[M+HCOO]- 302.07825 174.6
[M+CH3COO]- 316.09390 167.5
[M+Na-2H]- 278.05472 161.8
[M]+ 257.07950 159.2
[M]- 257.08060 159.2
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

patents stripe