CID 15957499

(4-methoxyphenyl)-[5-methyl-2-[(2-thioxo-3h-1,3,4-oxadiazol-5-yl)methoxy]phenyl]methanone

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
CC1=CC(=C(C=C1)OCC2=NNC(=S)O2)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16N2O4S/c1-11-3-8-15(23-10-16-19-20-18(25)24-16)14(9-11)17(21)12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,25)
InChIKey
PVSILJRZQMSVJW-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[5-methyl-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.08307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09035 181.6
[M+Na]+ 379.07229 191.3
[M-H]- 355.07579 189.4
[M+NH4]+ 374.11689 192.2
[M+K]+ 395.04623 186.8
[M+H-H2O]+ 339.08033 173.2
[M+HCOO]- 401.08127 197.2
[M+CH3COO]- 415.09692 208.8
[M+Na-2H]- 377.05774 180.9
[M]+ 356.08252 187.6
[M]- 356.08362 187.6
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.