CID 4057035

1,3-bis(4-bromophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H11Br2N3
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C15H11Br2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKey
PJGRZPFSQWYJRU-UHFFFAOYSA-N
Compound name
2,5-bis(4-bromophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.93198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.93926 175.2
[M+Na]+ 413.92120 171.6
[M+NH4]+ 408.96580 177.0
[M+K]+ 429.89514 177.2
[M-H]- 389.92470 178.0
[M+Na-2H]- 411.90665 177.8
[M]+ 390.93143 174.5
[M]- 390.93253 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.