CID 592827

2-amino-4,5-dimethylthiophene-3-carboxamide

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC1=C(SC(=C1C(=O)N)N)C
InChI
InChI=1S/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10)
InChIKey
ZKXSEMXZKAQARN-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

170.05139 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 134.6
[M+Na]+ 193.040608 143.8
[M-H]- 169.044114 138.4
[M+NH4]+ 188.085213 156.8
[M+K]+ 209.014548 141.0
[M+H-H2O]+ 153.048650 129.3
[M+HCOO]- 215.049591 154.9
[M+CH3COO]- 229.065241 183.1
[M+Na-2H]- 191.026056 133.7
[M]+ 170.05084142 134.3
[M]- 170.05193858 134.3
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

patents stripe