CID 3056166

1,3,4-oxadiazol-2(3h)-one, 5-(1,3-benzodioxol-5-yl)-3-(((4-chlorophenyl)amino)methyl)-

Structural Information

Molecular Formula
C16H12ClN3O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CNC4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H12ClN3O4/c17-11-2-4-12(5-3-11)18-8-20-16(21)24-15(19-20)10-1-6-13-14(7-10)23-9-22-13/h1-7,18H,8-9H2
InChIKey
BOZFSGUUCBFZQM-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.05164 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05892 174.8
[M+Na]+ 368.04086 190.1
[M+NH4]+ 363.08546 182.0
[M+K]+ 384.01480 187.7
[M-H]- 344.04436 183.3
[M+Na-2H]- 366.02631 181.0
[M]+ 345.05109 179.7
[M]- 345.05219 179.7
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.