CID 57657826

1027730-26-2

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)S(=N)(=O)C
InChI
InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(15)14-9-5-7-10(8-6-9)18(4,13)16/h5-8,13H,1-4H3,(H,14,15)
InChIKey
HCRWLMDDRIMPLO-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(methylsulfonimidoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

270.10382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 160.6
[M+Na]+ 293.09304 167.0
[M-H]- 269.09654 164.3
[M+NH4]+ 288.13764 177.0
[M+K]+ 309.06698 164.3
[M+H-H2O]+ 253.10108 154.4
[M+HCOO]- 315.10202 177.8
[M+CH3COO]- 329.11767 198.4
[M+Na-2H]- 291.07849 165.0
[M]+ 270.10327 162.7
[M]- 270.10437 162.7
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

patents stripe