CID 60659438

N,n-diethyl-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C13H15NOS
SMILES
CCN(CC)C(=O)C1=CC2=CC=CC=C2S1
InChI
InChI=1S/C13H15NOS/c1-3-14(4-2)13(15)12-9-10-7-5-6-8-11(10)16-12/h5-9H,3-4H2,1-2H3
InChIKey
AAODISUJPXZLEE-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.094706 152.4
[M+Na]+ 256.076648 161.1
[M-H]- 232.080154 158.9
[M+NH4]+ 251.121253 174.4
[M+K]+ 272.050588 158.4
[M+H-H2O]+ 216.084690 146.4
[M+HCOO]- 278.085631 173.4
[M+CH3COO]- 292.101281 195.0
[M+Na-2H]- 254.062096 154.9
[M]+ 233.08688142 158.1
[M]- 233.08797858 158.1
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.