CID 3076844

Brn 4195602

Structural Information

Molecular Formula
C14H20N2O2S2
SMILES
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC
InChI
InChI=1S/C14H20N2O2S2/c1-4-18-13(17)11-9-6-5-8(2)7-10(9)20-12(11)16-14(19)15-3/h8H,4-7H2,1-3H3,(H2,15,16,19)
InChIKey
YOUZDDZQRKSDRJ-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10390 170.1
[M+Na]+ 335.08584 176.5
[M+NH4]+ 330.13044 177.7
[M+K]+ 351.05978 169.6
[M-H]- 311.08934 171.8
[M+Na-2H]- 333.07129 171.2
[M]+ 312.09607 172.0
[M]- 312.09717 172.0
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.