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]+ 239.12126 155.0
[M+Na]+ 261.10320 160.6
[M-H]- 237.10670 157.0
[M+NH4]+ 256.14780 174.2
[M+K]+ 277.07714 157.5
[M+H-H2O]+ 221.11124 148.7
[M+HCOO]- 283.11218 168.6
[M+CH3COO]- 297.12783 192.3
[M+Na-2H]- 259.08865 154.0
[M]+ 238.11343 153.8
[M]- 238.11453 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.