CID 2807869

Sc-514

Structural Information

Molecular Formula
C9H8N2OS2
SMILES
C1=CSC=C1C2=CC(=C(S2)C(=O)N)N
InChI
InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKey
BMUACLADCKCNKZ-UHFFFAOYSA-N
Compound name
3-amino-5-thiophen-3-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

64
References

159
Patents

224.00781 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01509 146.1
[M+Na]+ 246.99703 155.2
[M+NH4]+ 242.04163 155.0
[M+K]+ 262.97097 149.9
[M-H]- 223.00053 150.1
[M+Na-2H]- 244.98248 151.3
[M]+ 224.00726 149.2
[M]- 224.00836 149.2
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