CID 3013289

Chembl428571

Structural Information

Molecular Formula
C25H24N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C25H24N2O2/c1-25(2,3)19-11-9-18(10-12-19)24(28)26-20-13-14-22-21(16-20)27-23(29-22)15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKey
MTURDHFQTNRLEO-UHFFFAOYSA-N
Compound name
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.18378 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 196.1
[M+Na]+ 407.17300 203.7
[M-H]- 383.17650 206.6
[M+NH4]+ 402.21760 207.3
[M+K]+ 423.14694 198.7
[M+H-H2O]+ 367.18104 186.5
[M+HCOO]- 429.18198 216.6
[M+CH3COO]- 443.19763 206.4
[M+Na-2H]- 405.15845 200.4
[M]+ 384.18323 199.6
[M]- 384.18433 199.6
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.