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

2
Patents

270.056 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.063276 158.6
[M+Na]+ 293.045218 169.7
[M-H]- 269.048724 163.7
[M+NH4]+ 288.089823 174.2
[M+K]+ 309.019158 163.3
[M+H-H2O]+ 253.053260 149.6
[M+HCOO]- 315.054201 175.1
[M+CH3COO]- 329.069851 170.9
[M+Na-2H]- 291.030666 166.6
[M]+ 270.05545142 162.3
[M]- 270.05654858 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

patents stripe