CID 704064

3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CC1=CC(=C2C(=C(SC2=N1)C(=O)N)N)COC
InChI
InChI=1S/C11H13N3O2S/c1-5-3-6(4-16-2)7-8(12)9(10(13)15)17-11(7)14-5/h3H,4,12H2,1-2H3,(H2,13,15)
InChIKey
IHMBNOOUSWWUFM-UHFFFAOYSA-N
Compound name
3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

251.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08013 153.3
[M+Na]+ 274.06207 164.1
[M-H]- 250.06557 157.1
[M+NH4]+ 269.10667 172.4
[M+K]+ 290.03601 160.1
[M+H-H2O]+ 234.07011 147.2
[M+HCOO]- 296.07105 173.0
[M+CH3COO]- 310.08670 198.4
[M+Na-2H]- 272.04752 154.5
[M]+ 251.07230 157.6
[M]- 251.07340 157.6
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