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

483
Patents

410.1188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12608 191.3
[M+Na]+ 433.10802 199.8
[M-H]- 409.11152 204.7
[M+NH4]+ 428.15262 197.8
[M+K]+ 449.08196 197.8
[M+H-H2O]+ 393.11606 182.5
[M+HCOO]- 455.11700 208.5
[M+CH3COO]- 469.13265 219.9
[M+Na-2H]- 431.09347 196.8
[M]+ 410.11825 200.4
[M]- 410.11935 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