CID 135495016

6,7-dimethoxy-3h-quinazolin-4-one

Structural Information

Molecular Formula
C10H10N2O3
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)OC
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
InChIKey
DMSRMHGCZUXCMJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

880
Patents

206.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.1
[M+Na]+ 229.058358 152.1
[M-H]- 205.061864 142.5
[M+NH4]+ 224.102963 158.3
[M+K]+ 245.032298 148.9
[M+H-H2O]+ 189.066400 133.8
[M+HCOO]- 251.067341 161.9
[M+CH3COO]- 265.082991 183.5
[M+Na-2H]- 227.043806 149.5
[M]+ 206.06859142 144.1
[M]- 206.06968858 144.1
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