CID 135407994

25468-51-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.08733	155.5
[M+Na]+	280.06927	169.7
[M+NH4]+	275.11387	162.2
[M+K]+	296.04321	165.6
[M-H]-	256.07277	155.4
[M+Na-2H]-	278.05472	160.4
[M]+	257.07950	157.3
[M]-	257.08060	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe