CID 485071

8,9-dichloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C12H10Cl2N4
SMILES
C1CC2=C(C3=CC(=C(C=C31)Cl)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C12H10Cl2N4/c13-7-3-5-1-2-9-10(6(5)4-8(7)14)11(15)18-12(16)17-9/h3-4H,1-2H2,(H4,15,16,17,18)
InChIKey
GPIYDMKXNUKPBP-UHFFFAOYSA-N
Compound name
8,9-dichloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.02826 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03554 159.7
[M+Na]+ 303.01748 171.7
[M-H]- 279.02098 161.3
[M+NH4]+ 298.06208 176.2
[M+K]+ 318.99142 164.2
[M+H-H2O]+ 263.02552 153.2
[M+HCOO]- 325.02646 169.9
[M+CH3COO]- 339.04211 170.9
[M+Na-2H]- 301.00293 165.5
[M]+ 280.02771 160.0
[M]- 280.02881 160.0
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.