CID 86674517

1232224-62-2

Structural Information

Molecular Formula
C9H7Cl2N3O2
SMILES
CCOC(=O)C1=NN2C(=C1)N=C(C=C2Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h3-4H,2H2,1H3
InChIKey
PLWMWQRVHWSVEM-UHFFFAOYSA-N
Compound name
ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

258.99155 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99883 149.0
[M+Na]+ 281.98077 162.3
[M-H]- 257.98427 149.8
[M+NH4]+ 277.02537 166.4
[M+K]+ 297.95471 157.3
[M+H-H2O]+ 241.98881 142.1
[M+HCOO]- 303.98975 161.2
[M+CH3COO]- 318.00540 191.9
[M+Na-2H]- 279.96622 153.9
[M]+ 258.99100 156.5
[M]- 258.99210 156.5
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