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 177.9
[M-H]- 299.05928 171.9
[M+NH4]+ 318.10038 181.2
[M+K]+ 339.02972 172.1
[M+H-H2O]+ 283.06382 157.4
[M+HCOO]- 345.06476 182.9
[M+CH3COO]- 359.08041 178.6
[M+Na-2H]- 321.04123 173.3
[M]+ 300.06601 172.5
[M]- 300.06711 172.5
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