CID 11465560

Schembl12167753

Structural Information

Molecular Formula
C23H22N2O7S
SMILES
CC(=O)OCC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22N2O7S/c1-16(26)31-15-23(27)24-17-3-7-20(8-4-17)32-21-9-5-18(6-10-21)25-33(28,29)22-13-11-19(30-2)12-14-22/h3-14,25H,15H2,1-2H3,(H,24,27)
InChIKey
BTJRKFAYCJEECP-UHFFFAOYSA-N
Compound name
[2-[4-[4-[(4-methoxyphenyl)sulfonylamino]phenoxy]anilino]-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

470.11478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.12206 208.1
[M+Na]+ 493.10400 212.0
[M-H]- 469.10750 217.2
[M+NH4]+ 488.14860 214.6
[M+K]+ 509.07794 209.1
[M+H-H2O]+ 453.11204 197.5
[M+HCOO]- 515.11298 225.8
[M+CH3COO]- 529.12863 235.0
[M+Na-2H]- 491.08945 210.8
[M]+ 470.11423 214.4
[M]- 470.11533 214.4
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

patents stripe