CID 1202808

3-(4-bromophenyl)-1-phenyl-1h-pyrazol-5-ylamine

Structural Information

Molecular Formula
C15H12BrN3
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C15H12BrN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKey
CHHODSBVRNGXPC-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.02145 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02873 163.7
[M+Na]+ 336.01067 175.7
[M-H]- 312.01417 173.5
[M+NH4]+ 331.05527 180.7
[M+K]+ 351.98461 162.5
[M+H-H2O]+ 296.01871 161.2
[M+HCOO]- 358.01965 185.2
[M+CH3COO]- 372.03530 177.5
[M+Na-2H]- 333.99612 169.1
[M]+ 313.02090 180.7
[M]- 313.02200 180.7
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.