CID 137943799

2260932-14-5

Structural Information

Molecular Formula
C7H12N4OS
SMILES
CS(=N)(=O)C1=C2CNCCN2N=C1
InChI
InChI=1S/C7H12N4OS/c1-13(8,12)7-5-10-11-3-2-9-4-6(7)11/h5,8-9H,2-4H2,1H3
InChIKey
KSZKNPBZNMUQIX-UHFFFAOYSA-N
Compound name
imino-methyl-oxo-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.080456 142.3
[M+Na]+ 223.062398 151.1
[M-H]- 199.065904 141.7
[M+NH4]+ 218.107003 160.1
[M+K]+ 239.036338 147.2
[M+H-H2O]+ 183.070440 136.0
[M+HCOO]- 245.071381 154.9
[M+CH3COO]- 259.087031 179.7
[M+Na-2H]- 221.047846 147.0
[M]+ 200.07263142 139.7
[M]- 200.07372858 139.7
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.