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

1
Patents

281.01636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.023636 154.4
[M+Na]+ 304.005578 166.4
[M-H]- 280.009084 160.0
[M+NH4]+ 299.050183 172.3
[M+K]+ 319.979518 153.7
[M+H-H2O]+ 264.013620 152.5
[M+HCOO]- 326.014561 174.6
[M+CH3COO]- 340.030211 195.1
[M+Na-2H]- 301.991026 159.3
[M]+ 281.01581142 171.9
[M]- 281.01690858 171.9
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

patents stripe