CID 1216179

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide

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]+ 390.10845 188.9
[M+Na]+ 412.09039 195.3
[M-H]- 388.09389 199.8
[M+NH4]+ 407.13499 198.2
[M+K]+ 428.06433 188.1
[M+H-H2O]+ 372.09843 182.9
[M+HCOO]- 434.09937 212.9
[M+CH3COO]- 448.11502 215.9
[M+Na-2H]- 410.07584 196.0
[M]+ 389.10062 191.6
[M]- 389.10172 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.