CID 47003162

N,n-dimethyl-1-[(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)sulfanyl]formamide

Structural Information

Molecular Formula
C13H15NO2S
SMILES
CN(C)C(=O)SC1=CC2=C(C=C1)C(=O)CCC2
InChI
InChI=1S/C13H15NO2S/c1-14(2)13(16)17-10-6-7-11-9(8-10)4-3-5-12(11)15/h6-8H,3-5H2,1-2H3
InChIKey
AMZNKLYLFKFXDT-UHFFFAOYSA-N
Compound name
S-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)] N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.08235 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08963 153.5
[M+Na]+ 272.07157 159.9
[M-H]- 248.07507 159.0
[M+NH4]+ 267.11617 172.7
[M+K]+ 288.04551 157.6
[M+H-H2O]+ 232.07961 147.1
[M+HCOO]- 294.08055 169.7
[M+CH3COO]- 308.09620 197.7
[M+Na-2H]- 270.05702 155.5
[M]+ 249.08180 155.1
[M]- 249.08290 155.1
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.