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

18
Patents

300.06656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.073836 166.6
[M+Na]+ 323.055778 177.9
[M-H]- 299.059284 171.9
[M+NH4]+ 318.100383 181.2
[M+K]+ 339.029718 172.1
[M+H-H2O]+ 283.063820 157.4
[M+HCOO]- 345.064761 182.9
[M+CH3COO]- 359.080411 178.6
[M+Na-2H]- 321.041226 173.3
[M]+ 300.06601142 172.5
[M]- 300.06710858 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