CID 11489258

Schembl12167783

Structural Information

Molecular Formula
C26H21N3O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H21N3O7S/c1-35-22-13-15-25(16-14-22)37(33,34)28-20-7-11-24(12-8-20)36-23-9-5-19(6-10-23)27-26(30)18-3-2-4-21(17-18)29(31)32/h2-17,28H,1H3,(H,27,30)
InChIKey
WYTHLZQIASTPIM-UHFFFAOYSA-N
Compound name
N-[4-[4-[(4-methoxyphenyl)sulfonylamino]phenoxy]phenyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

519.11005 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.11733 217.8
[M+Na]+ 542.09927 219.4
[M-H]- 518.10277 229.4
[M+NH4]+ 537.14387 220.4
[M+K]+ 558.07321 211.1
[M+H-H2O]+ 502.10731 209.6
[M+HCOO]- 564.10825 236.3
[M+CH3COO]- 578.12390 238.1
[M+Na-2H]- 540.08472 224.4
[M]+ 519.10950 218.8
[M]- 519.11060 218.8
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