CID 401591

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

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2/c1-24(2,3)18-11-9-16(10-12-18)22(27)25-19-13-14-21-20(15-19)26-23(28-21)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,25,27)
InChIKey
WHRDGOGJILITBG-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

370.16812 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 191.5
[M+Na]+ 393.15734 199.6
[M-H]- 369.16084 202.2
[M+NH4]+ 388.20194 203.3
[M+K]+ 409.13128 194.8
[M+H-H2O]+ 353.16538 182.1
[M+HCOO]- 415.16632 212.3
[M+CH3COO]- 429.18197 202.3
[M+Na-2H]- 391.14279 196.3
[M]+ 370.16757 194.7
[M]- 370.16867 194.7
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.