CID 609679

6-chloro-4-phenylquinazoline

Structural Information

Molecular Formula
C14H9ClN2
SMILES
C1=CC=C(C=C1)C2=NC=NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2/c15-11-6-7-13-12(8-11)14(17-9-16-13)10-4-2-1-3-5-10/h1-9H
InChIKey
PDVBMNDBLYNSIS-UHFFFAOYSA-N
Compound name
6-chloro-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

30
Patents

240.04543 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.052706 150.4
[M+Na]+ 263.034648 161.2
[M-H]- 239.038154 155.2
[M+NH4]+ 258.079253 167.0
[M+K]+ 279.008588 154.3
[M+H-H2O]+ 223.042690 141.6
[M+HCOO]- 285.043631 167.1
[M+CH3COO]- 299.059281 163.0
[M+Na-2H]- 261.020096 159.7
[M]+ 240.04488142 152.0
[M]- 240.04597858 152.0
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.