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]+ 419.16353 197.3
[M+Na]+ 441.14547 200.9
[M-H]- 417.14897 204.4
[M+NH4]+ 436.19007 205.4
[M+K]+ 457.11941 196.9
[M+H-H2O]+ 401.15351 187.3
[M+HCOO]- 463.15445 209.9
[M+CH3COO]- 477.17010 223.7
[M+Na-2H]- 439.13092 198.0
[M]+ 418.15570 198.7
[M]- 418.15680 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.