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]+ 376.181496 187.3
[M+Na]+ 398.163438 189.5
[M-H]- 374.166944 195.2
[M+NH4]+ 393.208043 199.5
[M+K]+ 414.137378 181.9
[M+H-H2O]+ 358.171480 182.1
[M+HCOO]- 420.172421 198.5
[M+CH3COO]- 434.188071 207.1
[M+Na-2H]- 396.148886 191.1
[M]+ 375.17367142 185.4
[M]- 375.17476858 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.