CID 13425204

Ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C10H10BrN3O2
SMILES
CCOC(=O)C1=C2N=CC(=CN2N=C1C)Br
InChI
InChI=1S/C10H10BrN3O2/c1-3-16-10(15)8-6(2)13-14-5-7(11)4-12-9(8)14/h4-5H,3H2,1-2H3
InChIKey
IWUAKWBXMZSTCM-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

282.99564 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00292 150.9
[M+Na]+ 305.98486 165.7
[M-H]- 281.98836 155.5
[M+NH4]+ 301.02946 170.1
[M+K]+ 321.95880 155.0
[M+H-H2O]+ 265.99290 149.9
[M+HCOO]- 327.99384 170.7
[M+CH3COO]- 342.00949 196.1
[M+Na-2H]- 303.97031 157.9
[M]+ 282.99509 174.6
[M]- 282.99619 174.6
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