CID 135484747

4-[(e)-2-(8-hydroxyquinazolin-2-yl)vinyl]benzene-1,2-diol

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC2=CN=C(N=C2C(=C1)O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12N2O3/c19-12-6-4-10(8-14(12)21)5-7-15-17-9-11-2-1-3-13(20)16(11)18-15/h1-9,19-21H/b7-5+
InChIKey
GWCHVDGYLHCSOJ-FNORWQNLSA-N
Compound name
4-[(E)-2-(8-hydroxyquinazolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 164.2
[M+Na]+ 303.07400 173.8
[M-H]- 279.07750 165.9
[M+NH4]+ 298.11860 176.5
[M+K]+ 319.04794 166.9
[M+H-H2O]+ 263.08204 155.6
[M+HCOO]- 325.08298 181.1
[M+CH3COO]- 339.09863 174.6
[M+Na-2H]- 301.05945 170.2
[M]+ 280.08423 163.2
[M]- 280.08533 163.2
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.