CID 49761469

Ethyl 6-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
CCOC(=O)C1=NN2C=C(C=NC2=C1)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)7-3-8-11-4-6(10)5-13(8)12-7/h3-5H,2H2,1H3
InChIKey
HDRIBFRDDYKHAP-UHFFFAOYSA-N
Compound name
ethyl 6-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.0305 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 143.7
[M+Na]+ 248.01972 156.0
[M-H]- 224.02322 145.0
[M+NH4]+ 243.06432 161.9
[M+K]+ 263.99366 152.1
[M+H-H2O]+ 208.02776 136.2
[M+HCOO]- 270.02870 161.2
[M+CH3COO]- 284.04435 186.1
[M+Na-2H]- 246.00517 150.2
[M]+ 225.02995 150.1
[M]- 225.03105 150.1
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