CID 3013300

4-tert-butyl-n-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide

Structural Information

Molecular Formula
C25H23ClN2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H23ClN2O2/c1-25(2,3)18-8-6-17(7-9-18)24(29)27-20-12-13-22-21(15-20)28-23(30-22)14-16-4-10-19(26)11-5-16/h4-13,15H,14H2,1-3H3,(H,27,29)
InChIKey
CHVODMGPAXXADC-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.1448 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15208 205.2
[M+Na]+ 441.13402 214.4
[M-H]- 417.13752 215.7
[M+NH4]+ 436.17862 216.2
[M+K]+ 457.10796 208.0
[M+H-H2O]+ 401.14206 195.9
[M+HCOO]- 463.14300 220.9
[M+CH3COO]- 477.15865 215.2
[M+Na-2H]- 439.11947 208.0
[M]+ 418.14425 211.6
[M]- 418.14535 211.6
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.