CID 25219685

24248-74-6

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15)
InChIKey
HVAWXSNOFJTABL-UHFFFAOYSA-N
Compound name
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

239.07285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 151.6
[M+Na]+ 262.06207 158.9
[M-H]- 238.06557 154.0
[M+NH4]+ 257.10667 170.4
[M+K]+ 278.03601 155.8
[M+H-H2O]+ 222.07011 145.8
[M+HCOO]- 284.07105 166.5
[M+CH3COO]- 298.08670 194.7
[M+Na-2H]- 260.04752 150.2
[M]+ 239.07230 149.5
[M]- 239.07340 149.5
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