CID 11122368

6-(2,6-difluorobenzoyl)-3-[2-oxo-2-(p-tolyl)ethyl]-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C23H15F2NO4
SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)C(=O)C4=C(C=CC=C4F)F)OC2=O
InChI
InChI=1S/C23H15F2NO4/c1-13-5-7-14(8-6-13)19(27)12-26-18-10-9-15(11-20(18)30-23(26)29)22(28)21-16(24)3-2-4-17(21)25/h2-11H,12H2,1H3
InChIKey
CYGZBHRPINEBBR-UHFFFAOYSA-N
Compound name
6-(2,6-difluorobenzoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.09692 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10420 194.3
[M+Na]+ 430.08614 205.7
[M-H]- 406.08964 203.4
[M+NH4]+ 425.13074 204.9
[M+K]+ 446.06008 200.5
[M+H-H2O]+ 390.09418 183.1
[M+HCOO]- 452.09512 213.4
[M+CH3COO]- 466.11077 205.2
[M+Na-2H]- 428.07159 193.6
[M]+ 407.09637 198.5
[M]- 407.09747 198.5
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.