CID 54592427

2-chloro-1-{4-ethyl-4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}ethan-1-one

Structural Information

Molecular Formula
C11H14ClNOS
SMILES
CCC1C2=C(CCN1C(=O)CCl)SC=C2
InChI
InChI=1S/C11H14ClNOS/c1-2-9-8-4-6-15-10(8)3-5-13(9)11(14)7-12/h4,6,9H,2-3,5,7H2,1H3
InChIKey
ZYOBJILPBCUEEZ-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05574 153.0
[M+Na]+ 266.03768 161.9
[M-H]- 242.04118 156.2
[M+NH4]+ 261.08228 173.9
[M+K]+ 282.01162 157.3
[M+H-H2O]+ 226.04572 148.1
[M+HCOO]- 288.04666 163.1
[M+CH3COO]- 302.06231 189.2
[M+Na-2H]- 264.02313 152.7
[M]+ 243.04791 156.0
[M]- 243.04901 156.0
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.