CID 536733

Lbaoapwewgptkp-uhfffaoysa-n

Structural Information

Molecular Formula
C13H20N2O5S2
SMILES
CCCS(=O)(=O)C1=CSC(=C1NNC(=O)C(C)C)C(=O)OC
InChI
InChI=1S/C13H20N2O5S2/c1-5-6-22(18,19)9-7-21-11(13(17)20-4)10(9)14-15-12(16)8(2)3/h7-8,14H,5-6H2,1-4H3,(H,15,16)
InChIKey
LBAOAPWEWGPTKP-UHFFFAOYSA-N
Compound name
methyl 3-[2-(2-methylpropanoyl)hydrazinyl]-4-propylsulfonylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

348.08136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.088636 180.0
[M+Na]+ 371.070578 184.7
[M-H]- 347.074084 182.8
[M+NH4]+ 366.115183 194.5
[M+K]+ 387.044518 181.5
[M+H-H2O]+ 331.078620 173.4
[M+HCOO]- 393.079561 191.4
[M+CH3COO]- 407.095211 212.3
[M+Na-2H]- 369.056026 177.7
[M]+ 348.08081142 185.7
[M]- 348.08190858 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.