CID 43348918

2-[5-amino-3-(4-bromophenyl)-1h-pyrazol-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C11H12BrN3O
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)CCO)Br
InChI
InChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2
InChIKey
ILSAXBMAGDRDGN-UHFFFAOYSA-N
Compound name
2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02364 160.7
[M+Na]+ 304.00558 163.6
[M+NH4]+ 299.05018 164.4
[M+K]+ 319.97952 164.9
[M-H]- 280.00908 161.6
[M+Na-2H]- 301.99103 163.7
[M]+ 281.01581 160.0
[M]- 281.01691 160.0
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.