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]+ 282.02364 154.4
[M+Na]+ 304.00558 166.4
[M-H]- 280.00908 160.0
[M+NH4]+ 299.05018 172.3
[M+K]+ 319.97952 153.7
[M+H-H2O]+ 264.01362 152.5
[M+HCOO]- 326.01456 174.6
[M+CH3COO]- 340.03021 195.1
[M+Na-2H]- 301.99103 159.3
[M]+ 281.01581 171.9
[M]- 281.01691 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