CID 135491417

4-[5-[[2-(3-methoxyphenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
COC1=CC=CC(=C1)C2(OCCO2)CSC3=NN=C(O3)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H18N2O5S/c1-23-16-4-2-3-14(11-16)19(24-9-10-25-19)12-27-18-21-20-17(26-18)13-5-7-15(22)8-6-13/h2-8,11,22H,9-10,12H2,1H3
InChIKey
FKGVZHUSAFMBGD-UHFFFAOYSA-N
Compound name
4-[5-[[2-(3-methoxyphenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.09363 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10091 184.5
[M+Na]+ 409.08285 193.4
[M-H]- 385.08635 196.6
[M+NH4]+ 404.12745 194.7
[M+K]+ 425.05679 193.0
[M+H-H2O]+ 369.09089 177.9
[M+HCOO]- 431.09183 198.9
[M+CH3COO]- 445.10748 195.7
[M+Na-2H]- 407.06830 185.1
[M]+ 386.09308 191.1
[M]- 386.09418 191.1
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.