CID 135484746

2-[(e)-2-(4-hydroxyphenyl)vinyl]quinazolin-8-ol

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC2=CN=C(N=C2C(=C1)O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C16H12N2O2/c19-13-7-4-11(5-8-13)6-9-15-17-10-12-2-1-3-14(20)16(12)18-15/h1-10,19-20H/b9-6+
InChIKey
IJDCOGAUNZENFU-RMKNXTFCSA-N
Compound name
2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-8-ol
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]+ 265.097146 160.4
[M+Na]+ 287.079088 169.7
[M-H]- 263.082594 163.0
[M+NH4]+ 282.123693 173.9
[M+K]+ 303.053028 162.9
[M+H-H2O]+ 247.087130 151.5
[M+HCOO]- 309.088071 178.7
[M+CH3COO]- 323.103721 171.3
[M+Na-2H]- 285.064536 167.5
[M]+ 264.08932142 159.4
[M]- 264.09041858 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.