CID 20785205

100644-66-4

Structural Information

Molecular Formula
C6H6ClN5
SMILES
CN1C2=C(C=N1)C(=NC(=N2)N)Cl
InChI
InChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
InChIKey
LSZNUJWHYLMPRG-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

183.03117 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.038446 134.8
[M+Na]+ 206.020388 148.6
[M-H]- 182.023894 134.8
[M+NH4]+ 201.064993 153.2
[M+K]+ 221.994328 143.8
[M+H-H2O]+ 166.028430 127.1
[M+HCOO]- 228.029371 152.7
[M+CH3COO]- 242.045021 148.6
[M+Na-2H]- 204.005836 142.6
[M]+ 183.03062142 137.8
[M]- 183.03171858 137.8
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