CID 4083619

692747-80-1

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3CCCO3)N)C
InChI
InChI=1S/C15H19N3O2S/c1-8-6-9(2)18-15-11(8)12(16)13(21-15)14(19)17-7-10-4-3-5-20-10/h6,10H,3-5,7,16H2,1-2H3,(H,17,19)
InChIKey
KRALIULGLVRBOL-UHFFFAOYSA-N
Compound name
3-amino-4,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 170.2
[M+Na]+ 328.10902 179.8
[M+NH4]+ 323.15362 177.9
[M+K]+ 344.08296 176.3
[M-H]- 304.11252 175.1
[M+Na-2H]- 326.09447 173.5
[M]+ 305.11925 173.1
[M]- 305.12035 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.