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]+ 255.07642 152.7
[M+Na]+ 277.05836 163.0
[M-H]- 253.06186 160.9
[M+NH4]+ 272.10296 169.6
[M+K]+ 293.03230 160.2
[M+H-H2O]+ 237.06640 145.0
[M+HCOO]- 299.06734 178.0
[M+CH3COO]- 313.08299 166.5
[M+Na-2H]- 275.04381 160.7
[M]+ 254.06859 156.1
[M]- 254.06969 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.