CID 3673394

2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine

Structural Information

Molecular Formula
C16H11BrN4
SMILES
C1=CC=C2C(=C1)C(=NN3C2=NC(=C3)C4=CC=C(C=C4)Br)N
InChI
InChI=1S/C16H11BrN4/c17-11-7-5-10(6-8-11)14-9-21-16(19-14)13-4-2-1-3-12(13)15(18)20-21/h1-9H,(H2,18,20)
InChIKey
ILCFXOKVYROPRQ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.01672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02400 169.9
[M+Na]+ 361.00594 184.3
[M-H]- 337.00944 177.7
[M+NH4]+ 356.05054 186.9
[M+K]+ 376.97988 170.5
[M+H-H2O]+ 321.01398 167.4
[M+HCOO]- 383.01492 189.3
[M+CH3COO]- 397.03057 183.5
[M+Na-2H]- 358.99139 178.1
[M]+ 338.01617 189.3
[M]- 338.01727 189.3
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

No patent data available for this compound.