CID 3087898

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

Structural Information

Molecular Formula
C16H12N4O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C16H12N4O4/c21-15(17-11-4-2-1-3-5-11)18-16-20-19-14(24-16)10-6-7-12-13(8-10)23-9-22-12/h1-8H,9H2,(H2,17,18,20,21)
InChIKey
HDADTSCGQIXHJI-UHFFFAOYSA-N
Compound name
1-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08585 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09313 172.2
[M+Na]+ 347.07507 184.4
[M+NH4]+ 342.11967 178.5
[M+K]+ 363.04901 183.8
[M-H]- 323.07857 180.6
[M+Na-2H]- 345.06052 178.3
[M]+ 324.08530 176.1
[M]- 324.08640 176.1
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.