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

literature stripe

Patent stripe

patents stripe