CID 198709

119584-75-7

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]+ 238.99269 142.4
[M+Na]+ 260.97463 146.3
[M+NH4]+ 256.01923 147.2
[M+K]+ 276.94857 146.3
[M-H]- 236.97813 143.8
[M+Na-2H]- 258.96008 146.2
[M]+ 237.98486 142.1
[M]- 237.98596 142.1
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