CID 607757

350996-95-1

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC1=C(SC(=C1C(=O)OC)N)C(=O)N(C)C
InChI
InChI=1S/C10H14N2O3S/c1-5-6(10(14)15-4)8(11)16-7(5)9(13)12(2)3/h11H2,1-4H3
InChIKey
WDWQGNNCVALKRI-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 156.0
[M+Na]+ 265.06173 163.3
[M+NH4]+ 260.10633 162.4
[M+K]+ 281.03567 160.4
[M-H]- 241.06523 156.7
[M+Na-2H]- 263.04718 157.9
[M]+ 242.07196 157.3
[M]- 242.07306 157.3
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.