CID 19577067

3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
CC1=CC(=NC2=C(C(=NN12)C(=O)O)Br)C
InChI
InChI=1S/C9H8BrN3O2/c1-4-3-5(2)13-8(11-4)6(10)7(12-13)9(14)15/h3H,1-2H3,(H,14,15)
InChIKey
HIELEKYFBAMFQZ-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97998 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98726 153.0
[M+Na]+ 291.96920 156.9
[M+NH4]+ 287.01380 156.1
[M+K]+ 307.94314 159.4
[M-H]- 267.97270 151.1
[M+Na-2H]- 289.95465 154.2
[M]+ 268.97943 151.7
[M]- 268.98053 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.