CID 89740467

Ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CCOC(=O)C1=NN2C=C(N=C(C2=C1)Cl)C
InChI
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-8-9(11)12-6(2)5-14(8)13-7/h4-5H,3H2,1-2H3
InChIKey
UFBGDLZUWIWIAT-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

239.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05344 148.4
[M+Na]+ 262.03538 161.2
[M-H]- 238.03888 150.0
[M+NH4]+ 257.07998 166.4
[M+K]+ 278.00932 157.0
[M+H-H2O]+ 222.04342 141.1
[M+HCOO]- 284.04436 165.6
[M+CH3COO]- 298.06001 190.3
[M+Na-2H]- 260.02083 153.7
[M]+ 239.04561 155.6
[M]- 239.04671 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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