CID 326153

53995-36-1

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1C(=O)N(N=C(O1)C2=CC=CC=C2O)CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O3/c19-14-9-5-4-8-13(14)16-17-18(15(20)11-21-16)10-12-6-2-1-3-7-12/h1-9,19H,10-11H2
InChIKey
YAJFDDAFXDWBGE-UHFFFAOYSA-N
Compound name
4-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 164.9
[M+Na]+ 305.08965 172.4
[M-H]- 281.09315 171.2
[M+NH4]+ 300.13425 175.3
[M+K]+ 321.06359 168.5
[M+H-H2O]+ 265.09769 154.6
[M+HCOO]- 327.09863 182.6
[M+CH3COO]- 341.11428 175.6
[M+Na-2H]- 303.07510 170.2
[M]+ 282.09988 163.5
[M]- 282.10098 163.5
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.