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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.194436	201.5
[M+Na]+	431.176378	203.5
[M-H]-	407.179884	211.4
[M+NH4]+	426.220983	213.4
[M+K]+	447.150318	199.8
[M+H-H2O]+	391.184420	192.1
[M+HCOO]-	453.185361	219.1
[M+CH3COO]-	467.201011	228.7
[M+Na-2H]-	429.161826	201.1
[M]+	408.18661142	204.8
[M]-	408.18770858	204.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.