CID 43650000

2-amino-1-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}pentan-1-one

Structural Information

Molecular Formula
C12H18N2OS
SMILES
CCCC(C(=O)N1CCC2=C(C1)C=CS2)N
InChI
InChI=1S/C12H18N2OS/c1-2-3-10(13)12(15)14-6-4-11-9(8-14)5-7-16-11/h5,7,10H,2-4,6,8,13H2,1H3
InChIKey
CXTITQMOQKFTEG-UHFFFAOYSA-N
Compound name
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11398 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.121256 155.0
[M+Na]+ 261.103198 160.6
[M-H]- 237.106704 157.0
[M+NH4]+ 256.147803 174.2
[M+K]+ 277.077138 157.5
[M+H-H2O]+ 221.111240 148.7
[M+HCOO]- 283.112181 168.6
[M+CH3COO]- 297.127831 192.3
[M+Na-2H]- 259.088646 154.0
[M]+ 238.11343142 153.8
[M]- 238.11452858 153.8
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.