CID 5328042

N4-(3-bromophenyl)quinazoline-4,6-diamine

Structural Information

Molecular Formula
C14H11BrN4
SMILES
C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKey
IZQHULBHKPGOAP-UHFFFAOYSA-N
Compound name
4-N-(3-bromophenyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

165
Patents

314.01672 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.023996 161.0
[M+Na]+ 337.005938 172.3
[M-H]- 313.009444 168.1
[M+NH4]+ 332.050543 176.8
[M+K]+ 352.979878 158.8
[M+H-H2O]+ 297.013980 158.0
[M+HCOO]- 359.014921 181.3
[M+CH3COO]- 373.030571 174.0
[M+Na-2H]- 334.991386 170.8
[M]+ 314.01617142 177.3
[M]- 314.01726858 177.3
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