CID 622265

N,5-diphenyl-4,5-dihydro-3-isoxazolecarboxamide

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C(ON=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c19-16(17-13-9-5-2-6-10-13)14-11-15(20-18-14)12-7-3-1-4-8-12/h1-10,15H,11H2,(H,17,19)
InChIKey
BDKIBPNHXICGBI-UHFFFAOYSA-N
Compound name
N,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.5
[M+Na]+ 289.09475 165.6
[M-H]- 265.09825 168.5
[M+NH4]+ 284.13935 174.0
[M+K]+ 305.06869 162.7
[M+H-H2O]+ 249.10279 150.6
[M+HCOO]- 311.10373 182.4
[M+CH3COO]- 325.11938 171.4
[M+Na-2H]- 287.08020 164.6
[M]+ 266.10498 158.3
[M]- 266.10608 158.3
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.