CID 327647

64686-54-0

Structural Information

Molecular Formula
C17H15NO4
SMILES
COC(=O)C1(N=C(OO1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H15NO4/c1-20-16(19)17(12-13-8-4-2-5-9-13)18-15(21-22-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKey
JBYWPAJNSNZGIU-UHFFFAOYSA-N
Compound name
methyl 3-benzyl-5-phenyl-1,2,4-dioxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 166.7
[M+Na]+ 320.08932 174.2
[M-H]- 296.09282 176.6
[M+NH4]+ 315.13392 180.9
[M+K]+ 336.06326 173.7
[M+H-H2O]+ 280.09736 158.3
[M+HCOO]- 342.09830 187.6
[M+CH3COO]- 356.11395 179.0
[M+Na-2H]- 318.07477 172.4
[M]+ 297.09955 170.2
[M]- 297.10065 170.2
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

No patent data available for this compound.