CID 607757

Methyl 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

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]+ 243.079786 154.1
[M+Na]+ 265.061728 161.9
[M-H]- 241.065234 159.5
[M+NH4]+ 260.106333 174.1
[M+K]+ 281.035668 161.2
[M+H-H2O]+ 225.069770 148.0
[M+HCOO]- 287.070711 174.2
[M+CH3COO]- 301.086361 199.2
[M+Na-2H]- 263.047176 151.4
[M]+ 242.07196142 158.6
[M]- 242.07305858 158.6
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.