CID 2844744

90754-85-1

Structural Information

Molecular Formula
C18H16N2O6
SMILES
COC1=CC(=C(C=C1C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC
InChI
InChI=1S/C18H16N2O6/c1-21-13-8-15(23-3)14(22-2)7-11(13)18-20-19-17(26-18)10-4-5-12-16(6-10)25-9-24-12/h4-8H,9H2,1-3H3
InChIKey
QFQLSDQUAUFMTJ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10083 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.108106 178.6
[M+Na]+ 379.090048 189.0
[M-H]- 355.093554 190.1
[M+NH4]+ 374.134653 189.4
[M+K]+ 395.063988 189.9
[M+H-H2O]+ 339.098090 171.1
[M+HCOO]- 401.099031 198.3
[M+CH3COO]- 415.114681 191.2
[M+Na-2H]- 377.075496 181.1
[M]+ 356.10028142 188.7
[M]- 356.10137858 188.7
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.