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]+ 201.08046 142.3
[M+Na]+ 223.06240 151.1
[M-H]- 199.06590 141.7
[M+NH4]+ 218.10700 160.1
[M+K]+ 239.03634 147.2
[M+H-H2O]+ 183.07044 136.0
[M+HCOO]- 245.07138 154.9
[M+CH3COO]- 259.08703 179.7
[M+Na-2H]- 221.04785 147.0
[M]+ 200.07263 139.7
[M]- 200.07373 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.