CID 135446763

2-(4-methoxystyryl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C17H14N2O2
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C17H14N2O2/c1-21-13-9-6-12(7-10-13)8-11-16-18-15-5-3-2-4-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b11-8+
InChIKey
LSZNCJFMLYCZKP-DHZHZOJOSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

278.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.1
[M+Na]+ 301.09475 173.6
[M-H]- 277.09825 167.9
[M+NH4]+ 296.13935 177.7
[M+K]+ 317.06869 166.8
[M+H-H2O]+ 261.10279 154.6
[M+HCOO]- 323.10373 183.7
[M+CH3COO]- 337.11938 175.2
[M+Na-2H]- 299.08020 171.0
[M]+ 278.10498 164.4
[M]- 278.10608 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.