CID 2727410

Ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate

Structural Information

Molecular Formula
C13H12N4O2
SMILES
CCOC(=O)C1=C2N=C(C3=CC=CC=C3N2N=C1)N
InChI
InChI=1S/C13H12N4O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3,(H2,14,16)
InChIKey
QMAKXUSBZUAODT-UHFFFAOYSA-N
Compound name
ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

256.09604 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 156.3
[M+Na]+ 279.08526 167.4
[M-H]- 255.08876 158.5
[M+NH4]+ 274.12986 172.9
[M+K]+ 295.05920 163.1
[M+H-H2O]+ 239.09330 147.8
[M+HCOO]- 301.09424 177.4
[M+CH3COO]- 315.10989 168.6
[M+Na-2H]- 277.07071 163.0
[M]+ 256.09549 159.9
[M]- 256.09659 159.9
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