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]+ 244.055736 153.0
[M+Na]+ 266.037678 161.9
[M-H]- 242.041184 156.2
[M+NH4]+ 261.082283 173.9
[M+K]+ 282.011618 157.3
[M+H-H2O]+ 226.045720 148.1
[M+HCOO]- 288.046661 163.1
[M+CH3COO]- 302.062311 189.2
[M+Na-2H]- 264.023126 152.7
[M]+ 243.04791142 156.0
[M]- 243.04900858 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.