CID 146155595

2416228-73-2

Structural Information

Molecular Formula

C₁₁H₂₀N₄O₃S

SMILES

CC(C)(C)OC(=O)NCC1=NN(C=C1S(=N)(=O)C)C

InChI

InChI=1S/C11H20N4O3S/c1-11(2,3)18-10(16)13-6-8-9(19(5,12)17)7-15(4)14-8/h7,12H,6H2,1-5H3,(H,13,16)

InChIKey

SPCTZTXGRSHKDA-UHFFFAOYSA-N

Compound name

tert-butyl N-[[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.1256 Da
Monoisotopic Mass: 1.3
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]+	289.132876	167.8
[M+Na]+	311.114818	175.4
[M-H]-	287.118324	169.5
[M+NH4]+	306.159423	183.0
[M+K]+	327.088758	173.1
[M+H-H2O]+	271.122860	161.1
[M+HCOO]-	333.123801	183.5
[M+CH3COO]-	347.139451	202.0
[M+Na-2H]-	309.100266	170.1
[M]+	288.12505142	171.6
[M]-	288.12614858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.