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]+ 245.05885 151.0
[M+Na]+ 267.04079 163.9
[M-H]- 243.04429 153.9
[M+NH4]+ 262.08539 168.4
[M+K]+ 283.01473 156.8
[M+H-H2O]+ 227.04883 143.7
[M+HCOO]- 289.04977 169.1
[M+CH3COO]- 303.06542 163.8
[M+Na-2H]- 265.02624 160.5
[M]+ 244.05102 152.5
[M]- 244.05212 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.