CID 212759

Fc 110

Structural Information

Molecular Formula
C24H28N2O2S
SMILES
CN(CCC1=CC=CC=C1)CCN(C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C24H28N2O2S/c1-25(16-15-20-10-5-3-6-11-20)17-18-26(2)23(27)24(28,22-14-9-19-29-22)21-12-7-4-8-13-21/h3-14,19,28H,15-18H2,1-2H3
InChIKey
XNGKDKKSVNJPGN-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2-phenyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18716 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19444 199.5
[M+Na]+ 431.17638 209.2
[M+NH4]+ 426.22098 206.9
[M+K]+ 447.15032 202.3
[M-H]- 407.17988 205.7
[M+Na-2H]- 429.16183 208.5
[M]+ 408.18661 203.0
[M]- 408.18771 203.0
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.