CID 473034

6-[3-(dimethylamino)benzoyl]-3h-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CN(C)C1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C16H14N2O3/c1-18(2)12-5-3-4-10(8-12)15(19)11-6-7-13-14(9-11)21-16(20)17-13/h3-9H,1-2H3,(H,17,20)
InChIKey
LBTMYBQPGHXZHR-UHFFFAOYSA-N
Compound name
6-[3-(dimethylamino)benzoyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.3
[M+Na]+ 305.08965 172.1
[M-H]- 281.09315 170.6
[M+NH4]+ 300.13425 178.1
[M+K]+ 321.06359 169.4
[M+H-H2O]+ 265.09769 154.5
[M+HCOO]- 327.09863 185.8
[M+CH3COO]- 341.11428 202.9
[M+Na-2H]- 303.07510 167.3
[M]+ 282.09988 166.4
[M]- 282.10098 166.4
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.