CID 498013

3-cyclohexyl-n-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O2/c25-21(14-11-16-7-3-1-4-8-16)23-18-12-13-20-19(15-18)24-22(26-20)17-9-5-2-6-10-17/h2,5-6,9-10,12-13,15-16H,1,3-4,7-8,11,14H2,(H,23,25)
InChIKey
MLXBCKGNPZUKAX-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.18378 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 183.1
[M+Na]+ 371.17300 187.6
[M-H]- 347.17650 192.0
[M+NH4]+ 366.21760 195.0
[M+K]+ 387.14694 183.0
[M+H-H2O]+ 331.18104 173.0
[M+HCOO]- 393.18198 202.0
[M+CH3COO]- 407.19763 192.6
[M+Na-2H]- 369.15845 185.8
[M]+ 348.18323 181.4
[M]- 348.18433 181.4
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.