CID 781458

2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C16H10N2O5/c1-3-11-13(21-7-19-11)5-9(1)15-17-18-16(23-15)10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2
InChIKey
IETZUPROJASXCZ-UHFFFAOYSA-N
Compound name
2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.05896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 161.5
[M+Na]+ 333.04818 171.9
[M-H]- 309.05168 174.7
[M+NH4]+ 328.09278 173.7
[M+K]+ 349.02212 174.3
[M+H-H2O]+ 293.05622 157.7
[M+HCOO]- 355.05716 178.9
[M+CH3COO]- 369.07281 175.0
[M+Na-2H]- 331.03363 164.7
[M]+ 310.05841 168.3
[M]- 310.05951 168.3
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

patents stripe