CID 10982042

Chembl461714

Structural Information

Molecular Formula
C21H14FN3O4
SMILES
C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI
InChI=1S/C21H14FN3O4/c22-15-5-3-14(4-6-15)21-24-18-12-16(7-10-19(18)29-21)23-20(26)11-13-1-8-17(9-2-13)25(27)28/h1-10,12H,11H2,(H,23,26)
InChIKey
DABZDJSBKDSASC-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.09683 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10411 188.9
[M+Na]+ 414.08605 195.8
[M-H]- 390.08955 198.4
[M+NH4]+ 409.13065 198.3
[M+K]+ 430.05999 187.2
[M+H-H2O]+ 374.09409 182.2
[M+HCOO]- 436.09503 211.8
[M+CH3COO]- 450.11068 216.3
[M+Na-2H]- 412.07150 195.1
[M]+ 391.09628 189.5
[M]- 391.09738 189.5
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.