CID 5439

1c5t

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC2=C(N=C1)SC(=C2)C(=N)N
InChI
InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)
InChIKey
GZEJMYFXZMUAEC-UHFFFAOYSA-N
Compound name
thieno[2,3-b]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

177.03607 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 132.2
[M+Na]+ 200.02529 142.3
[M-H]- 176.02879 136.1
[M+NH4]+ 195.06989 153.9
[M+K]+ 215.99923 138.2
[M+H-H2O]+ 160.03333 126.2
[M+HCOO]- 222.03427 153.3
[M+CH3COO]- 236.04992 146.2
[M+Na-2H]- 198.01074 137.7
[M]+ 177.03552 132.5
[M]- 177.03662 132.5
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