CID 4367104

3-(phenylcarbamoyl)-2(3h)-benzoxazolone

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H10N2O3/c17-13(15-10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)19-14(16)18/h1-9H,(H,15,17)
InChIKey
GPIBMNCXXLCEJX-UHFFFAOYSA-N
Compound name
2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.076416 152.7
[M+Na]+ 277.058358 163.0
[M-H]- 253.061864 160.9
[M+NH4]+ 272.102963 169.6
[M+K]+ 293.032298 160.2
[M+H-H2O]+ 237.066400 145.0
[M+HCOO]- 299.067341 178.0
[M+CH3COO]- 313.082991 166.5
[M+Na-2H]- 275.043806 160.7
[M]+ 254.06859142 156.1
[M]- 254.06968858 156.1
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.