CID 135511100

Chembl278647

Structural Information

Molecular Formula
C17H16N2O4
SMILES
COC1=CC=CC(=C1)C2=NC3=CC(=C(C=C3C(=O)N2)OC)OC
InChI
InChI=1S/C17H16N2O4/c1-21-11-6-4-5-10(7-11)16-18-13-9-15(23-3)14(22-2)8-12(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKey
JEYBXGNYMWTZMF-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

312.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.6
[M+Na]+ 335.10022 182.1
[M-H]- 311.10372 176.1
[M+NH4]+ 330.14482 184.1
[M+K]+ 351.07416 177.5
[M+H-H2O]+ 295.10826 161.9
[M+HCOO]- 357.10920 191.2
[M+CH3COO]- 371.12485 205.2
[M+Na-2H]- 333.08567 177.1
[M]+ 312.11045 176.4
[M]- 312.11155 176.4
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