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]+ 269.987256 146.8
[M+Na]+ 291.969198 162.4
[M-H]- 267.972704 150.6
[M+NH4]+ 287.013803 166.1
[M+K]+ 307.943138 150.9
[M+H-H2O]+ 251.977240 146.3
[M+HCOO]- 313.978181 165.4
[M+CH3COO]- 327.993831 192.7
[M+Na-2H]- 289.954646 153.2
[M]+ 268.97943142 168.9
[M]- 268.98052858 168.9
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

No patent data available for this compound.