CID 3377124

2-(3,5-dichlorophenoxy)-5-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C17H18Cl2N2O3S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C17H18Cl2N2O3S/c18-12-8-13(19)10-14(9-12)24-17-5-4-15(11-16(17)20)25(22,23)21-6-2-1-3-7-21/h4-5,8-11H,1-3,6-7,20H2
InChIKey
XPMZQAIUBZVBBS-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0415 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.048776 187.4
[M+Na]+ 423.030718 195.2
[M-H]- 399.034224 194.6
[M+NH4]+ 418.075323 198.3
[M+K]+ 439.004658 188.2
[M+H-H2O]+ 383.038760 180.0
[M+HCOO]- 445.039701 191.7
[M+CH3COO]- 459.055351 216.3
[M+Na-2H]- 421.016166 187.7
[M]+ 400.04095142 189.2
[M]- 400.04204858 189.2
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.