CID 214279

Fc 211

Structural Information

Molecular Formula
C20H27N2O3S
SMILES
CN(CC[N+]1(CCOCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C20H27N2O3S/c1-21(10-11-22(2)12-14-25-15-13-22)19(23)20(24,18-9-6-16-26-18)17-7-4-3-5-8-17/h3-9,16,24H,10-15H2,1-2H3/q+1
InChIKey
OSQYDJDDZVRQFZ-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.17422 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18150 187.3
[M+Na]+ 398.16344 189.5
[M-H]- 374.16694 195.2
[M+NH4]+ 393.20804 199.5
[M+K]+ 414.13738 181.9
[M+H-H2O]+ 358.17148 182.1
[M+HCOO]- 420.17242 198.5
[M+CH3COO]- 434.18807 207.1
[M+Na-2H]- 396.14889 191.1
[M]+ 375.17367 185.4
[M]- 375.17477 185.4
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.