CID 43365

3-(2-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2(3h)-one

Structural Information

Molecular Formula
C10H10N2O4
SMILES
COC1=CC=CC=C1N2C(=O)OC(=N2)OC
InChI
InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3
InChIKey
LTMQQEMGRMBUSL-UHFFFAOYSA-N
Compound name
5-methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

11840
Patents

222.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 142.6
[M+Na]+ 245.053278 153.8
[M-H]- 221.056784 148.6
[M+NH4]+ 240.097883 159.1
[M+K]+ 261.027218 153.3
[M+H-H2O]+ 205.061320 134.9
[M+HCOO]- 267.062261 166.6
[M+CH3COO]- 281.077911 186.3
[M+Na-2H]- 243.038726 148.9
[M]+ 222.06351142 148.9
[M]- 222.06460858 148.9
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

patents stripe