CID 617488

6-chloro-4-(2-chlorophenyl)-2-quinazolinecarboxaldehyde

Structural Information

Molecular Formula
C15H8Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C=O)Cl
InChI
InChI=1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H
InChIKey
VUUITUUENPOMIU-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.00137 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00865 163.2
[M+Na]+ 324.99059 175.7
[M-H]- 300.99409 167.7
[M+NH4]+ 320.03519 178.1
[M+K]+ 340.96453 167.9
[M+H-H2O]+ 284.99863 154.8
[M+HCOO]- 346.99957 174.7
[M+CH3COO]- 361.01522 175.1
[M+Na-2H]- 322.97604 169.6
[M]+ 302.00082 167.9
[M]- 302.00192 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe