CID 3773498

5-amino-4-cyano-3-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=C(SC(=C1C#N)N)C(=O)N
InChI
InChI=1S/C7H7N3OS/c1-3-4(2-8)7(10)12-5(3)6(9)11/h10H2,1H3,(H2,9,11)
InChIKey
DZIJAMQPHHDKAM-UHFFFAOYSA-N
Compound name
5-amino-4-cyano-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 144.7
[M+Na]+ 204.02021 155.6
[M-H]- 180.02371 148.5
[M+NH4]+ 199.06481 164.1
[M+K]+ 219.99415 153.0
[M+H-H2O]+ 164.02825 132.6
[M+HCOO]- 226.02919 161.4
[M+CH3COO]- 240.04484 196.4
[M+Na-2H]- 202.00566 143.7
[M]+ 181.03044 139.4
[M]- 181.03154 139.4
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

patents stripe