CID 485074

8,9-dichlorobenzo[f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C12H8Cl2N4
SMILES
C1=CC2=C(C3=CC(=C(C=C31)Cl)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C12H8Cl2N4/c13-7-3-5-1-2-9-10(6(5)4-8(7)14)11(15)18-12(16)17-9/h1-4H,(H4,15,16,17,18)
InChIKey
NSUUGZXHUYHRFF-UHFFFAOYSA-N
Compound name
8,9-dichlorobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0126 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.019876 157.7
[M+Na]+ 301.001818 171.7
[M-H]- 277.005324 160.0
[M+NH4]+ 296.046423 174.4
[M+K]+ 316.975758 163.7
[M+H-H2O]+ 261.009860 151.2
[M+HCOO]- 323.010801 170.6
[M+CH3COO]- 337.026451 169.9
[M+Na-2H]- 298.987266 165.5
[M]+ 278.01205142 160.8
[M]- 278.01314858 160.8
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

No patent data available for this compound.