CID 28366860

4-chloro-2-(3-methoxyphenyl)quinazoline

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C15H11ClN2O/c1-19-11-6-4-5-10(9-11)15-17-13-8-3-2-7-12(13)14(16)18-15/h2-9H,1H3
InChIKey
LIRAIXXQBUQFTJ-UHFFFAOYSA-N
Compound name
4-chloro-2-(3-methoxyphenyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.6
[M+Na]+ 293.04522 169.7
[M-H]- 269.04872 163.7
[M+NH4]+ 288.08982 174.2
[M+K]+ 309.01916 163.3
[M+H-H2O]+ 253.05326 149.6
[M+HCOO]- 315.05420 175.1
[M+CH3COO]- 329.06985 170.9
[M+Na-2H]- 291.03067 166.6
[M]+ 270.05545 162.3
[M]- 270.05655 162.3
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

No patent data available for this compound.