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]+ 279.01988 157.7
[M+Na]+ 301.00182 171.7
[M-H]- 277.00532 160.0
[M+NH4]+ 296.04642 174.4
[M+K]+ 316.97576 163.7
[M+H-H2O]+ 261.00986 151.2
[M+HCOO]- 323.01080 170.6
[M+CH3COO]- 337.02645 169.9
[M+Na-2H]- 298.98727 165.5
[M]+ 278.01205 160.8
[M]- 278.01315 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.