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

6
Patents

181.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.038266 144.7
[M+Na]+ 204.020208 155.6
[M-H]- 180.023714 148.5
[M+NH4]+ 199.064813 164.1
[M+K]+ 219.994148 153.0
[M+H-H2O]+ 164.028250 132.6
[M+HCOO]- 226.029191 161.4
[M+CH3COO]- 240.044841 196.4
[M+Na-2H]- 202.005656 143.7
[M]+ 181.03044142 139.4
[M]- 181.03153858 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