CID 827668

Oprea1_267049

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c1-2-15-8-10-17(11-9-15)22-24-19-14-18(12-13-20(19)26-22)23-21(25)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,23,25)
InChIKey
AYUWGPSXPNCTNS-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.13684 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 181.8
[M+Na]+ 365.12606 190.3
[M-H]- 341.12956 192.4
[M+NH4]+ 360.17066 194.6
[M+K]+ 381.10000 185.3
[M+H-H2O]+ 325.13410 172.0
[M+HCOO]- 387.13504 204.9
[M+CH3COO]- 401.15069 193.2
[M+Na-2H]- 363.11151 186.7
[M]+ 342.13629 184.8
[M]- 342.13739 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.