CID 135440572

4-[(e)-2-quinazolin-2-ylvinyl]phenol

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C2C(=C1)C=NC(=N2)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C16H12N2O/c19-14-8-5-12(6-9-14)7-10-16-17-11-13-3-1-2-4-15(13)18-16/h1-11,19H/b10-7+
InChIKey
GJTAAKLMQQNKDR-JXMROGBWSA-N
Compound name
4-[(E)-2-quinazolin-2-ylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 156.5
[M+Na]+ 271.08418 165.5
[M-H]- 247.08768 160.1
[M+NH4]+ 266.12878 171.1
[M+K]+ 287.05812 158.8
[M+H-H2O]+ 231.09222 147.3
[M+HCOO]- 293.09316 176.1
[M+CH3COO]- 307.10881 167.9
[M+Na-2H]- 269.06963 164.8
[M]+ 248.09441 155.4
[M]- 248.09551 155.4
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.