CID 511926

[4-(5-benzenesulfonyl-pyridin-2-yloxy)-phenyl]-phenyl-methanone

Structural Information

Molecular Formula
C24H17NO4S
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H17NO4S/c26-24(18-7-3-1-4-8-18)19-11-13-20(14-12-19)29-23-16-15-22(17-25-23)30(27,28)21-9-5-2-6-10-21/h1-17H
InChIKey
AJHOWWXUXXFONC-UHFFFAOYSA-N
Compound name
[4-[5-(benzenesulfonyl)pyridin-2-yl]oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.08783 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09511 198.7
[M+Na]+ 438.07705 205.7
[M-H]- 414.08055 209.8
[M+NH4]+ 433.12165 206.5
[M+K]+ 454.05099 199.4
[M+H-H2O]+ 398.08509 187.5
[M+HCOO]- 460.08603 214.4
[M+CH3COO]- 474.10168 207.7
[M+Na-2H]- 436.06250 202.3
[M]+ 415.08728 201.1
[M]- 415.08838 201.1
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

No patent data available for this compound.