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 201.5
[M+Na]+ 431.17638 203.5
[M-H]- 407.17988 211.4
[M+NH4]+ 426.22098 213.4
[M+K]+ 447.15032 199.8
[M+H-H2O]+ 391.18442 192.1
[M+HCOO]- 453.18536 219.1
[M+CH3COO]- 467.20101 228.7
[M+Na-2H]- 429.16183 201.1
[M]+ 408.18661 204.8
[M]- 408.18771 204.8
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.