CID 135405179

4-[(e)-2-(8-methoxyquinazolin-2-yl)vinyl]phenol

Structural Information

Molecular Formula
C17H14N2O2
SMILES
COC1=CC=CC2=CN=C(N=C21)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C17H14N2O2/c1-21-15-4-2-3-13-11-18-16(19-17(13)15)10-7-12-5-8-14(20)9-6-12/h2-11,20H,1H3/b10-7+
InChIKey
KEMBBZBNODVWFV-JXMROGBWSA-N
Compound name
4-[(E)-2-(8-methoxyquinazolin-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.7
[M+Na]+ 301.09475 174.0
[M-H]- 277.09825 168.5
[M+NH4]+ 296.13935 178.4
[M+K]+ 317.06869 167.8
[M+H-H2O]+ 261.10279 155.2
[M+HCOO]- 323.10373 184.2
[M+CH3COO]- 337.11938 175.9
[M+Na-2H]- 299.08020 171.7
[M]+ 278.10498 165.8
[M]- 278.10608 165.8
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.