CID 698121

52505-42-7

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C
InChI
InChI=1S/C11H12N2OS/c1-5-4-6(2)13-11-8(5)9(12)10(15-11)7(3)14/h4H,12H2,1-3H3
InChIKey
ZDAPLZCKWHZNPX-UHFFFAOYSA-N
Compound name
1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

220.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.1
[M+Na]+ 243.05625 158.1
[M-H]- 219.05975 150.6
[M+NH4]+ 238.10085 167.2
[M+K]+ 259.03019 154.0
[M+H-H2O]+ 203.06429 140.6
[M+HCOO]- 265.06523 165.3
[M+CH3COO]- 279.08088 191.7
[M+Na-2H]- 241.04170 147.4
[M]+ 220.06648 150.7
[M]- 220.06758 150.7
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