CID 45791861

2-methyl-9-oxo-4h,9h-pyrazolo[3,2-b]quinazoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H9N3O2
SMILES
CC1=C(C2=NC3=CC=CC=C3C(=O)N2N1)C=O
InChI
InChI=1S/C12H9N3O2/c1-7-9(6-16)11-13-10-5-3-2-4-8(10)12(17)15(11)14-7/h2-6,14H,1H3
InChIKey
GSZMRIRFXQMCGZ-UHFFFAOYSA-N
Compound name
2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 148.1
[M+Na]+ 250.05869 163.8
[M+NH4]+ 245.10329 155.7
[M+K]+ 266.03263 158.7
[M-H]- 226.06219 148.8
[M+Na-2H]- 248.04414 153.9
[M]+ 227.06892 150.5
[M]- 227.07002 150.5
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