CID 135484745

(e)-8-methoxy-2-[2-(3,4-dihydroxyphenyl)ethenyl]quinazoline

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=CC2=CN=C(N=C21)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H14N2O3/c1-22-15-4-2-3-12-10-18-16(19-17(12)15)8-6-11-5-7-13(20)14(21)9-11/h2-10,20-21H,1H3/b8-6+
InChIKey
IBHIISSJQYMVGI-SOFGYWHQSA-N
Compound name
4-[(E)-2-(8-methoxyquinazolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10043 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 168.4
[M+Na]+ 317.08965 178.0
[M-H]- 293.09315 171.3
[M+NH4]+ 312.13425 180.9
[M+K]+ 333.06359 171.8
[M+H-H2O]+ 277.09769 159.3
[M+HCOO]- 339.09863 186.5
[M+CH3COO]- 353.11428 179.1
[M+Na-2H]- 315.07510 174.3
[M]+ 294.09988 169.6
[M]- 294.10098 169.6
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

No patent data available for this compound.