CID 1216179

5847-54-1

Structural Information

Molecular Formula
C21H15N3O5
SMILES
COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C21H15N3O5/c1-28-15-6-4-5-13(11-15)21-23-17-12-14(9-10-19(17)29-21)22-20(25)16-7-2-3-8-18(16)24(26)27/h2-12H,1H3,(H,22,25)
InChIKey
BAEVEFNKUYDGMY-UHFFFAOYSA-N
Compound name
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

389.10117 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.108446 188.9
[M+Na]+ 412.090388 195.3
[M-H]- 388.093894 199.8
[M+NH4]+ 407.134993 198.2
[M+K]+ 428.064328 188.1
[M+H-H2O]+ 372.098430 182.9
[M+HCOO]- 434.099371 212.9
[M+CH3COO]- 448.115021 215.9
[M+Na-2H]- 410.075836 196.0
[M]+ 389.10062142 191.6
[M]- 389.10171858 191.6
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.