CID 456185

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

Structural Information

Molecular Formula
C12H9BrN4
SMILES
C1=CC2=C(C=CC3=C2C(=NC(=N3)N)N)C=C1Br
InChI
InChI=1S/C12H9BrN4/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
HUHLNLWASRUHTG-UHFFFAOYSA-N
Compound name
8-bromobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

288.00107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00835 154.0
[M+Na]+ 310.99029 168.1
[M-H]- 286.99379 159.5
[M+NH4]+ 306.03489 172.3
[M+K]+ 326.96423 154.5
[M+H-H2O]+ 270.99833 152.0
[M+HCOO]- 332.99927 174.2
[M+CH3COO]- 347.01492 168.1
[M+Na-2H]- 308.97574 164.6
[M]+ 288.00052 171.8
[M]- 288.00162 171.8
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.