CID 137942762

2287343-37-5

Structural Information

Molecular Formula
C12H20N4O3S
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)S(=N)(=O)C)C1
InChI
InChI=1S/C12H20N4O3S/c1-12(2,3)19-11(17)15-5-6-16-9(8-15)10(7-14-16)20(4,13)18/h7,13H,5-6,8H2,1-4H3
InChIKey
GHOXYRMBALGRGM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methylsulfonimidoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13288 171.2
[M+Na]+ 323.11482 178.9
[M-H]- 299.11832 172.0
[M+NH4]+ 318.15942 185.8
[M+K]+ 339.08876 176.4
[M+H-H2O]+ 283.12286 165.0
[M+HCOO]- 345.12380 181.6
[M+CH3COO]- 359.13945 201.0
[M+Na-2H]- 321.10027 174.0
[M]+ 300.12505 173.2
[M]- 300.12615 173.2
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.