CID 135442251

4-[(e)-2-quinazolin-2-ylvinyl]benzene-1,2-diol

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C=NC(=N2)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12N2O2/c19-14-7-5-11(9-15(14)20)6-8-16-17-10-12-3-1-2-4-13(12)18-16/h1-10,19-20H/b8-6+
InChIKey
YIWQIONXTWWIAZ-SOFGYWHQSA-N
Compound name
4-[(E)-2-quinazolin-2-ylethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 160.4
[M+Na]+ 287.07909 169.7
[M-H]- 263.08259 163.0
[M+NH4]+ 282.12369 173.9
[M+K]+ 303.05303 162.9
[M+H-H2O]+ 247.08713 151.5
[M+HCOO]- 309.08807 178.7
[M+CH3COO]- 323.10372 171.3
[M+Na-2H]- 285.06454 167.5
[M]+ 264.08932 159.4
[M]- 264.09042 159.4
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

No patent data available for this compound.