CID 498011

2-cyclohexyl-n-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]acetamide

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4CCCCC4
InChI
InChI=1S/C23H26N2O2/c1-2-16-8-10-18(11-9-16)23-25-20-15-19(12-13-21(20)27-23)24-22(26)14-17-6-4-3-5-7-17/h8-13,15,17H,2-7,14H2,1H3,(H,24,26)
InChIKey
PHFCTRYVAASSPQ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.19943 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.5
[M+Na]+ 385.18865 193.5
[M-H]- 361.19215 197.6
[M+NH4]+ 380.23325 200.2
[M+K]+ 401.16259 188.6
[M+H-H2O]+ 345.19669 178.4
[M+HCOO]- 407.19763 207.0
[M+CH3COO]- 421.21328 197.9
[M+Na-2H]- 383.17410 189.9
[M]+ 362.19888 187.6
[M]- 362.19998 187.6
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.