CID 100596

67829-21-4

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)NC4=CC=CC=C4
InChI
InChI=1S/C15H11N3O3/c1-2-4-11(5-3-1)16-15-18-17-14(21-15)10-6-7-12-13(8-10)20-9-19-12/h1-8H,9H2,(H,16,18)
InChIKey
UQRGDXNZCZWZES-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.08005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.087326 158.5
[M+Na]+ 304.069268 167.3
[M-H]- 280.072774 169.1
[M+NH4]+ 299.113873 171.3
[M+K]+ 320.043208 166.8
[M+H-H2O]+ 264.077310 150.6
[M+HCOO]- 326.078251 179.8
[M+CH3COO]- 340.093901 171.3
[M+Na-2H]- 302.054716 164.9
[M]+ 281.07950142 161.6
[M]- 281.08059858 161.6
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