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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.05411	146.5
[M+Na]+	256.03605	162.9
[M+NH4]+	251.08065	154.5
[M+K]+	272.00999	159.2
[M-H]-	232.03955	148.2
[M+Na-2H]-	254.02150	154.9
[M]+	233.04628	149.6
[M]-	233.04738	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe