CID 3013310

4-nitro-n-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

Structural Information

Molecular Formula
C20H13N3O4
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H13N3O4/c24-19(13-6-9-16(10-7-13)23(25)26)21-15-8-11-18-17(12-15)22-20(27-18)14-4-2-1-3-5-14/h1-12H,(H,21,24)
InChIKey
XGRUCKXJQIGGDW-UHFFFAOYSA-N
Compound name
4-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

359.0906 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09788 180.6
[M+Na]+ 382.07982 187.1
[M-H]- 358.08332 191.4
[M+NH4]+ 377.12442 191.1
[M+K]+ 398.05376 179.2
[M+H-H2O]+ 342.08786 175.0
[M+HCOO]- 404.08880 205.0
[M+CH3COO]- 418.10445 209.6
[M+Na-2H]- 380.06527 188.7
[M]+ 359.09005 181.4
[M]- 359.09115 181.4
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.