CID 5020799

727699-84-5

Structural Information

Molecular Formula
C26H21FN2O4S
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H21FN2O4S/c1-33-25-16-13-22(17-24(25)29-34(31,32)23-14-11-21(27)12-15-23)28-26(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-17,29H,1H3,(H,28,30)
InChIKey
DVLMVJILWFSRPS-UHFFFAOYSA-N
Compound name
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

476.1206 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.12788 212.1
[M+Na]+ 499.10982 218.0
[M-H]- 475.11332 223.0
[M+NH4]+ 494.15442 218.5
[M+K]+ 515.08376 211.4
[M+H-H2O]+ 459.11786 199.9
[M+HCOO]- 521.11880 229.2
[M+CH3COO]- 535.13445 237.6
[M+Na-2H]- 497.09527 214.6
[M]+ 476.12005 213.4
[M]- 476.12115 213.4
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

patents stripe