CID 511927

Schembl10834354

Structural Information

Molecular Formula
C24H25NO4S
SMILES
CCCCCCS(=O)(=O)C1=CN=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H25NO4S/c1-2-3-4-8-17-30(27,28)22-15-16-23(25-18-22)29-21-13-11-20(12-14-21)24(26)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3
InChIKey
FYJVLEWBFSDDJG-UHFFFAOYSA-N
Compound name
[4-(5-hexylsulfonylpyridin-2-yl)oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

423.15042 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15770 202.6
[M+Na]+ 446.13964 208.3
[M-H]- 422.14314 210.2
[M+NH4]+ 441.18424 210.8
[M+K]+ 462.11358 202.2
[M+H-H2O]+ 406.14768 192.0
[M+HCOO]- 468.14862 217.2
[M+CH3COO]- 482.16427 223.3
[M+Na-2H]- 444.12509 203.8
[M]+ 423.14987 207.9
[M]- 423.15097 207.9
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

No patent data available for this compound.