CID 473038

6-(4-aminobenzoyl)-3h-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)O3)N
InChI
InChI=1S/C14H10N2O3/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,15H2,(H,16,18)
InChIKey
FGOIVQUDLHWPOE-UHFFFAOYSA-N
Compound name
6-(4-aminobenzoyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 153.4
[M+Na]+ 277.05836 164.0
[M-H]- 253.06186 160.1
[M+NH4]+ 272.10296 169.5
[M+K]+ 293.03230 160.0
[M+H-H2O]+ 237.06640 146.2
[M+HCOO]- 299.06734 176.5
[M+CH3COO]- 313.08299 166.6
[M+Na-2H]- 275.04381 159.3
[M]+ 254.06859 154.7
[M]- 254.06969 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.