CID 1015183

2-(4-methoxyphenoxy)-n-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}acetamide

Structural Information

Molecular Formula
C21H26N2O5S
SMILES
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H26N2O5S/c1-16-11-13-23(14-12-16)29(25,26)20-9-3-17(4-10-20)22-21(24)15-28-19-7-5-18(27-2)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKey
ZHMUXSUXNPKJPV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15625 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.163526 197.3
[M+Na]+ 441.145468 200.9
[M-H]- 417.148974 204.4
[M+NH4]+ 436.190073 205.4
[M+K]+ 457.119408 196.9
[M+H-H2O]+ 401.153510 187.3
[M+HCOO]- 463.154451 209.9
[M+CH3COO]- 477.170101 223.7
[M+Na-2H]- 439.130916 198.0
[M]+ 418.15570142 198.7
[M]- 418.15679858 198.7
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.