CID 121378289

1940180-18-6

Structural Information

Molecular Formula
C10H8ClN5
SMILES
CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)Cl
InChI
InChI=1S/C10H8ClN5/c1-15-5-7(4-13-15)8-6-16-9(2-3-12-16)10(11)14-8/h2-6H,1H3
InChIKey
NDFBBDUBZDNHGS-UHFFFAOYSA-N
Compound name
4-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

233.04683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05411 148.7
[M+Na]+ 256.03605 162.7
[M-H]- 232.03955 151.1
[M+NH4]+ 251.08065 165.5
[M+K]+ 272.00999 157.1
[M+H-H2O]+ 216.04409 138.9
[M+HCOO]- 278.04503 165.5
[M+CH3COO]- 292.06068 161.9
[M+Na-2H]- 254.02150 153.5
[M]+ 233.04628 153.5
[M]- 233.04738 153.5
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

patents stripe