CID 198709

2,4-quinazolinediamine, 5-bromo-

Structural Information

Molecular Formula
C8H7BrN4
SMILES
C1=CC2=C(C(=C1)Br)C(=NC(=N2)N)N
InChI
InChI=1S/C8H7BrN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChIKey
NPAVQJGHQXYNDS-UHFFFAOYSA-N
Compound name
5-bromoquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

237.98541 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.992686 140.4
[M+Na]+ 260.974628 153.4
[M-H]- 236.978134 144.8
[M+NH4]+ 256.019233 159.5
[M+K]+ 276.948568 140.7
[M+H-H2O]+ 220.982670 138.7
[M+HCOO]- 282.983611 160.8
[M+CH3COO]- 296.999261 154.9
[M+Na-2H]- 258.960076 149.8
[M]+ 237.98486142 156.3
[M]- 237.98595858 156.3
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

patents stripe