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]+ 335.10600 174.5
[M+Na]+ 357.08794 180.4
[M-H]- 333.09144 182.6
[M+NH4]+ 352.13254 184.7
[M+K]+ 373.06188 177.1
[M+H-H2O]+ 317.09598 165.4
[M+HCOO]- 379.09692 188.3
[M+CH3COO]- 393.11257 205.6
[M+Na-2H]- 355.07339 178.5
[M]+ 334.09817 173.5
[M]- 334.09927 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.