CID 145998261

6-bromo-n2-phenylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C14H11BrN4
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Br)C(=N2)N
InChI
InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)
InChIKey
MPGNABXYXOGUGH-UHFFFAOYSA-N
Compound name
6-bromo-2-N-phenylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

314.01672 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02400 161.0
[M+Na]+ 337.00594 172.3
[M-H]- 313.00944 168.1
[M+NH4]+ 332.05054 176.8
[M+K]+ 352.97988 158.8
[M+H-H2O]+ 297.01398 158.0
[M+HCOO]- 359.01492 181.3
[M+CH3COO]- 373.03057 174.0
[M+Na-2H]- 334.99139 170.8
[M]+ 314.01617 177.3
[M]- 314.01727 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