CID 2853923

3-chloro-n-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C14H14ClNO2S
SMILES
C1CC(OC1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI
InChI=1S/C14H14ClNO2S/c15-12-10-5-1-2-6-11(10)19-13(12)14(17)16-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKey
WXPHQFQCOBBPIO-UHFFFAOYSA-N
Compound name
3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

60
Patents

295.04337 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05065 167.4
[M+Na]+ 318.03259 176.7
[M-H]- 294.03609 176.5
[M+NH4]+ 313.07719 187.6
[M+K]+ 334.00653 172.6
[M+H-H2O]+ 278.04063 163.1
[M+HCOO]- 340.04157 182.1
[M+CH3COO]- 354.05722 180.2
[M+Na-2H]- 316.01804 167.8
[M]+ 295.04282 172.5
[M]- 295.04392 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe