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]+ 243.07979 154.1
[M+Na]+ 265.06173 161.9
[M-H]- 241.06523 159.5
[M+NH4]+ 260.10633 174.1
[M+K]+ 281.03567 161.2
[M+H-H2O]+ 225.06977 148.0
[M+HCOO]- 287.07071 174.2
[M+CH3COO]- 301.08636 199.2
[M+Na-2H]- 263.04718 151.4
[M]+ 242.07196 158.6
[M]- 242.07306 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.