CID 165765537

4-bromo-1-(oxan-2-yl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C9H12BrN3O2
SMILES
C1CCOC(C1)N2C=C(C(=N2)C(=O)N)Br
InChI
InChI=1S/C9H12BrN3O2/c10-6-5-13(12-8(6)9(11)14)7-3-1-2-4-15-7/h5,7H,1-4H2,(H2,11,14)
InChIKey
OCXJJZHTOPAHMJ-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxan-2-yl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0113 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01858 156.8
[M+Na]+ 296.00052 157.5
[M+NH4]+ 291.04512 160.0
[M+K]+ 311.97446 160.7
[M-H]- 272.00402 158.0
[M+Na-2H]- 293.98597 157.6
[M]+ 273.01075 155.7
[M]- 273.01185 155.7
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.