CID 40269

Brn 2291159

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CNC(=O)OC1=CC=CC=C1SCC(=O)N(C)C
InChI
InChI=1S/C12H16N2O3S/c1-13-12(16)17-9-6-4-5-7-10(9)18-8-11(15)14(2)3/h4-7H,8H2,1-3H3,(H,13,16)
InChIKey
FEPJFPQPEAQVEP-UHFFFAOYSA-N
Compound name
[2-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08817 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.095446 161.1
[M+Na]+ 291.077388 166.3
[M-H]- 267.080894 165.8
[M+NH4]+ 286.121993 177.9
[M+K]+ 307.051328 165.2
[M+H-H2O]+ 251.085430 153.5
[M+HCOO]- 313.086371 180.6
[M+CH3COO]- 327.102021 202.6
[M+Na-2H]- 289.062836 161.8
[M]+ 268.08762142 165.6
[M]- 268.08871858 165.6
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.