CID 3809457

5-(morpholine-4-sulfonyl)-2-phenoxyaniline

Structural Information

Molecular Formula
C16H18N2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N
InChI
InChI=1S/C16H18N2O4S/c17-15-12-14(23(19,20)18-8-10-21-11-9-18)6-7-16(15)22-13-4-2-1-3-5-13/h1-7,12H,8-11,17H2
InChIKey
OPDRFNOUUAEXNH-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonyl-2-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.09872 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.105996 174.5
[M+Na]+ 357.087938 180.4
[M-H]- 333.091444 182.6
[M+NH4]+ 352.132543 184.7
[M+K]+ 373.061878 177.1
[M+H-H2O]+ 317.095980 165.4
[M+HCOO]- 379.096921 188.3
[M+CH3COO]- 393.112571 205.6
[M+Na-2H]- 355.073386 178.5
[M]+ 334.09817142 173.5
[M]- 334.09926858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.