CID 27175

Macrogol 4000

Structural Information

Molecular Formula
C15H20N2OS
SMILES
CCN(CC)CCNC(=O)C1=CC2=CC=CC=C2S1
InChI
InChI=1S/C15H20N2OS/c1-3-17(4-2)10-9-16-15(18)14-11-12-7-5-6-8-13(12)19-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKey
BKZZNGOVLXIRQR-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7267
Patents

276.12964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13692 164.8
[M+Na]+ 299.11886 171.6
[M-H]- 275.12236 170.7
[M+NH4]+ 294.16346 184.6
[M+K]+ 315.09280 168.3
[M+H-H2O]+ 259.12690 157.8
[M+HCOO]- 321.12784 186.0
[M+CH3COO]- 335.14349 205.8
[M+Na-2H]- 297.10431 167.0
[M]+ 276.12909 170.4
[M]- 276.13019 170.4
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.