CID 44558545

7-chloro-1-methyl-1h-pyrazolo[4,3-d]pyrimidine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
CN1C2=C(C=N1)N=CN=C2Cl
InChI
InChI=1S/C6H5ClN4/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3
InChIKey
SNAXHGFEBGMQMG-UHFFFAOYSA-N
Compound name
7-chloro-1-methylpyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

168.02028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 129.6
[M+Na]+ 191.00950 143.3
[M-H]- 167.01300 129.5
[M+NH4]+ 186.05410 148.8
[M+K]+ 206.98344 139.0
[M+H-H2O]+ 151.01754 121.7
[M+HCOO]- 213.01848 147.0
[M+CH3COO]- 227.03413 143.8
[M+Na-2H]- 188.99495 138.5
[M]+ 168.01973 133.8
[M]- 168.02083 133.8
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