CID 3077012

S-(1-ethenyl-1h-pyrazolo(3,4-b)pyrazin-5-yl) hexanethioate

Structural Information

Molecular Formula
C13H16N4OS
SMILES
CCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C
InChI
InChI=1S/C13H16N4OS/c1-3-5-6-7-12(18)19-11-9-14-13-10(16-11)8-15-17(13)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey
FMADEWPHXBRVLC-UHFFFAOYSA-N
Compound name
S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) hexanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11178 164.6
[M+Na]+ 299.09372 177.2
[M+NH4]+ 294.13832 170.9
[M+K]+ 315.06766 170.1
[M-H]- 275.09722 164.1
[M+Na-2H]- 297.07917 168.4
[M]+ 276.10395 166.5
[M]- 276.10505 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.