CID 138005721

2249435-90-1

Structural Information

Molecular Formula
C25H19FN2O4S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30)
InChIKey
GPXQUPCJIJBXHJ-UHFFFAOYSA-N
Compound name
N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

462.10495 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.11223 206.8
[M+Na]+ 485.09417 212.7
[M-H]- 461.09767 216.6
[M+NH4]+ 480.13877 213.1
[M+K]+ 501.06811 205.6
[M+H-H2O]+ 445.10221 195.3
[M+HCOO]- 507.10315 222.8
[M+CH3COO]- 521.11880 232.7
[M+Na-2H]- 483.07962 209.6
[M]+ 462.10440 206.1
[M]- 462.10550 206.1
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