CID 821974

37839-59-1

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)N)N
InChI
InChI=1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKey
LTNWICBPQWPXDK-UHFFFAOYSA-N
Compound name
3-amino-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

192.03574 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 136.7
[M+Na]+ 215.024958 147.0
[M-H]- 191.028464 141.6
[M+NH4]+ 210.069563 159.0
[M+K]+ 230.998898 142.9
[M+H-H2O]+ 175.033000 131.5
[M+HCOO]- 237.033941 158.2
[M+CH3COO]- 251.049591 185.1
[M+Na-2H]- 213.010406 140.1
[M]+ 192.03519142 137.6
[M]- 192.03628858 137.6
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