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

literature stripe

Patent stripe

patents stripe