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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.132876	171.2
[M+Na]+	323.114818	178.9
[M-H]-	299.118324	172.0
[M+NH4]+	318.159423	185.8
[M+K]+	339.088758	176.4
[M+H-H2O]+	283.122860	165.0
[M+HCOO]-	345.123801	181.6
[M+CH3COO]-	359.139451	201.0
[M+Na-2H]-	321.100266	174.0
[M]+	300.12505142	173.2
[M]-	300.12614858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.