CID 1370016

Oprea1_151641

Structural Information

Molecular Formula
C23H20N2O3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H20N2O3/c1-3-15-4-6-17(7-5-15)23-25-20-14-18(10-13-21(20)28-23)24-22(26)16-8-11-19(27-2)12-9-16/h4-14H,3H2,1-2H3,(H,24,26)
InChIKey
HZUIDYCITAHOKI-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1474 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 190.0
[M+Na]+ 395.13662 198.7
[M-H]- 371.14012 200.9
[M+NH4]+ 390.18122 201.7
[M+K]+ 411.11056 194.3
[M+H-H2O]+ 355.14466 180.0
[M+HCOO]- 417.14560 212.9
[M+CH3COO]- 431.16125 201.1
[M+Na-2H]- 393.12207 193.7
[M]+ 372.14685 195.2
[M]- 372.14795 195.2
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.