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

literature stripe

Patent stripe

patents stripe