CID 498009

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4CCCCC4
InChI
InChI=1S/C22H24N2O2/c1-2-15-8-10-17(11-9-15)22-24-19-14-18(12-13-20(19)26-22)23-21(25)16-6-4-3-5-7-16/h8-14,16H,2-7H2,1H3,(H,23,25)
InChIKey
SENJYLNACSUICJ-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.18378 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 183.9
[M+Na]+ 371.17300 189.4
[M-H]- 347.17650 193.3
[M+NH4]+ 366.21760 196.2
[M+K]+ 387.14694 184.8
[M+H-H2O]+ 331.18104 174.1
[M+HCOO]- 393.18198 202.8
[M+CH3COO]- 407.19763 193.8
[M+Na-2H]- 369.15845 185.9
[M]+ 348.18323 182.7
[M]- 348.18433 182.7
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.