CID 7131387

4-chloro-6,7-dimethoxy-2-phenylquinazoline

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)Cl)OC
InChI
InChI=1S/C16H13ClN2O2/c1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
NXUAKKINLOJPBS-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethoxy-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

300.06656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.6
[M+Na]+ 323.05578 185.2
[M+NH4]+ 318.10038 175.8
[M+K]+ 339.02972 175.7
[M-H]- 299.05928 171.6
[M+Na-2H]- 321.04123 176.6
[M]+ 300.06601 171.3
[M]- 300.06711 171.3
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

patents stripe