CID 16729548

Chembl245929

Structural Information

Molecular Formula
C9H10N4S
SMILES
C1CC1CSC2=NC=NC3=C2C=NN3
InChI
InChI=1S/C9H10N4S/c1-2-6(1)4-14-9-7-3-12-13-8(7)10-5-11-9/h3,5-6H,1-2,4H2,(H,10,11,12,13)
InChIKey
IYHFTYDPRGSSII-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.06262 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.069896 148.1
[M+Na]+ 229.051838 161.2
[M-H]- 205.055344 150.4
[M+NH4]+ 224.096443 160.1
[M+K]+ 245.025778 154.7
[M+H-H2O]+ 189.059880 140.1
[M+HCOO]- 251.060821 164.0
[M+CH3COO]- 265.076471 159.9
[M+Na-2H]- 227.037286 152.5
[M]+ 206.06207142 152.5
[M]- 206.06316858 152.5
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

No patent data available for this compound.