CID 456186

8-chlorobenzo[f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C12H9ClN4
SMILES
C1=CC2=C(C=CC3=C2C(=NC(=N3)N)N)C=C1Cl
InChI
InChI=1S/C12H9ClN4/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(14)17-12(15)16-9/h1-5H,(H4,14,15,16,17)
InChIKey
GHIQMZUYTDRLJD-UHFFFAOYSA-N
Compound name
8-chlorobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

244.05157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.058846 151.0
[M+Na]+ 267.040788 163.9
[M-H]- 243.044294 153.9
[M+NH4]+ 262.085393 168.4
[M+K]+ 283.014728 156.8
[M+H-H2O]+ 227.048830 143.7
[M+HCOO]- 289.049771 169.1
[M+CH3COO]- 303.065421 163.8
[M+Na-2H]- 265.026236 160.5
[M]+ 244.05102142 152.5
[M]- 244.05211858 152.5
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.