CID 146155458

2416230-67-4

Structural Information

Molecular Formula
C11H20N4O3S
SMILES
CC(C)(C)OC(=O)NCC1=C(C=NN1C)S(=N)(=O)C
InChI
InChI=1S/C11H20N4O3S/c1-11(2,3)18-10(16)13-6-8-9(19(5,12)17)7-14-15(8)4/h7,12H,6H2,1-5H3,(H,13,16)
InChIKey
ZLPIIKGTJMPSHT-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13288 167.8
[M+Na]+ 311.11482 175.4
[M-H]- 287.11832 169.5
[M+NH4]+ 306.15942 183.0
[M+K]+ 327.08876 173.1
[M+H-H2O]+ 271.12286 161.1
[M+HCOO]- 333.12380 183.5
[M+CH3COO]- 347.13945 202.0
[M+Na-2H]- 309.10027 170.1
[M]+ 288.12505 171.6
[M]- 288.12615 171.6
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.