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 147.8
[M+Na]+ 250.05869 161.4
[M-H]- 226.06219 149.6
[M+NH4]+ 245.10329 165.9
[M+K]+ 266.03263 155.6
[M+H-H2O]+ 210.06673 140.3
[M+HCOO]- 272.06767 168.5
[M+CH3COO]- 286.08332 161.2
[M+Na-2H]- 248.04414 155.3
[M]+ 227.06892 151.3
[M]- 227.07002 151.3
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