CID 823925

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

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c1-14-7-9-15(10-8-14)20(24)22-17-11-12-19-18(13-17)23-21(25-19)16-5-3-2-4-6-16/h2-13H,1H3,(H,22,24)
InChIKey
ZNKJEANTDGHKRJ-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

328.1212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 177.1
[M+Na]+ 351.11042 186.2
[M-H]- 327.11392 188.0
[M+NH4]+ 346.15502 190.5
[M+K]+ 367.08436 181.3
[M+H-H2O]+ 311.11846 167.6
[M+HCOO]- 373.11940 200.6
[M+CH3COO]- 387.13505 189.1
[M+Na-2H]- 349.09587 182.6
[M]+ 328.12065 179.9
[M]- 328.12175 179.9
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

patents stripe