CID 11718506

Oxirane, 2-methyl-2-[[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]methyl]-

Structural Information

Molecular Formula
C23H22O5S
SMILES
CC1(CO1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H22O5S/c1-23(17-28-23)16-27-20-9-13-22(14-10-20)29(24,25)21-11-7-19(8-12-21)26-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3
InChIKey
UIZMKKCVKQEXMO-UHFFFAOYSA-N
Compound name
2-methyl-2-[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

508
Patents

410.1188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.126076 191.3
[M+Na]+ 433.108018 199.8
[M-H]- 409.111524 204.7
[M+NH4]+ 428.152623 197.8
[M+K]+ 449.081958 197.8
[M+H-H2O]+ 393.116060 182.5
[M+HCOO]- 455.117001 208.5
[M+CH3COO]- 469.132651 219.9
[M+Na-2H]- 431.093466 196.8
[M]+ 410.11825142 200.4
[M]- 410.11934858 200.4
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

patents stripe