CID 11260626

Schembl12167800

Structural Information

Molecular Formula
C27H24N2O6S
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)OC
InChI
InChI=1S/C27H24N2O6S/c1-33-22-14-16-26(17-15-22)36(31,32)29-21-8-12-24(13-9-21)35-23-10-6-20(7-11-23)28-27(30)19-4-3-5-25(18-19)34-2/h3-18,29H,1-2H3,(H,28,30)
InChIKey
TUXGVVBKOBCAHE-UHFFFAOYSA-N
Compound name
3-methoxy-N-[4-[4-[(4-methoxyphenyl)sulfonylamino]phenoxy]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

504.1355 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14278 218.7
[M+Na]+ 527.12472 223.2
[M-H]- 503.12822 230.8
[M+NH4]+ 522.16932 223.7
[M+K]+ 543.09866 218.8
[M+H-H2O]+ 487.13276 206.8
[M+HCOO]- 549.13370 236.8
[M+CH3COO]- 563.14935 242.3
[M+Na-2H]- 525.11017 222.1
[M]+ 504.13495 223.8
[M]- 504.13605 223.8
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