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]+ 269.09545 161.1
[M+Na]+ 291.07739 166.3
[M-H]- 267.08089 165.8
[M+NH4]+ 286.12199 177.9
[M+K]+ 307.05133 165.2
[M+H-H2O]+ 251.08543 153.5
[M+HCOO]- 313.08637 180.6
[M+CH3COO]- 327.10202 202.6
[M+Na-2H]- 289.06284 161.8
[M]+ 268.08762 165.6
[M]- 268.08872 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.