CID 3983670

2-phenyl-5-{[(2-phenyl-1,3-dioxolan-2-yl)methyl]sulfanyl}-1,3,4-oxadiazole

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
C1COC(O1)(CSC2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O3S/c1-3-7-14(8-4-1)16-19-20-17(23-16)24-13-18(21-11-12-22-18)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey
CTZXDJQQHHEVSC-UHFFFAOYSA-N
Compound name
2-phenyl-5-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

340.08817 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09545 173.9
[M+Na]+ 363.07739 182.8
[M-H]- 339.08089 186.6
[M+NH4]+ 358.12199 186.4
[M+K]+ 379.05133 182.2
[M+H-H2O]+ 323.08543 166.8
[M+HCOO]- 385.08637 189.8
[M+CH3COO]- 399.10202 185.9
[M+Na-2H]- 361.06284 175.8
[M]+ 340.08762 178.2
[M]- 340.08872 178.2
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.