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[3,4-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]+ 207.06990 148.1
[M+Na]+ 229.05184 161.2
[M-H]- 205.05534 150.4
[M+NH4]+ 224.09644 160.1
[M+K]+ 245.02578 154.7
[M+H-H2O]+ 189.05988 140.1
[M+HCOO]- 251.06082 164.0
[M+CH3COO]- 265.07647 159.9
[M+Na-2H]- 227.03729 152.5
[M]+ 206.06207 152.5
[M]- 206.06317 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.