CID 100596

5-(1,3-benzodioxol-5-yl)-n-phenyl-1,3,4-oxadiazol-2-amine

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]+ 282.08733 160.4
[M+Na]+ 304.06927 175.0
[M+NH4]+ 299.11387 168.5
[M+K]+ 320.04321 173.0
[M-H]- 280.07277 169.6
[M+Na-2H]- 302.05472 168.0
[M]+ 281.07950 165.2
[M]- 281.08060 165.2
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