CID 16777781

926211-42-9

Structural Information

Molecular Formula
C12H13N3S
SMILES
C1CN(CC2=C1SC=C2)C3=NC=C(C=C3)N
InChI
InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2
InChIKey
VEJCYGREDNZFMG-UHFFFAOYSA-N
Compound name
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.08302 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09030 148.2
[M+Na]+ 254.07224 157.0
[M-H]- 230.07574 152.9
[M+NH4]+ 249.11684 166.6
[M+K]+ 270.04618 152.0
[M+H-H2O]+ 214.08028 140.7
[M+HCOO]- 276.08122 164.1
[M+CH3COO]- 290.09687 160.3
[M+Na-2H]- 252.05769 151.1
[M]+ 231.08247 146.2
[M]- 231.08357 146.2
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

patents stripe