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 158.5
[M+Na]+ 304.06927 167.3
[M-H]- 280.07277 169.1
[M+NH4]+ 299.11387 171.3
[M+K]+ 320.04321 166.8
[M+H-H2O]+ 264.07731 150.6
[M+HCOO]- 326.07825 179.8
[M+CH3COO]- 340.09390 171.3
[M+Na-2H]- 302.05472 164.9
[M]+ 281.07950 161.6
[M]- 281.08060 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