CID 498012

3-cyclohexyl-n-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide

Structural Information

Molecular Formula
C22H23FN2O2
SMILES
C1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN2O2/c23-17-9-7-16(8-10-17)22-25-19-14-18(11-12-20(19)27-22)24-21(26)13-6-15-4-2-1-3-5-15/h7-12,14-15H,1-6,13H2,(H,24,26)
InChIKey
MCTVDGPWBXUTIS-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.17435 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18163 187.0
[M+Na]+ 389.16357 192.6
[M-H]- 365.16707 195.0
[M+NH4]+ 384.20817 198.6
[M+K]+ 405.13751 187.4
[M+H-H2O]+ 349.17161 176.2
[M+HCOO]- 411.17255 204.9
[M+CH3COO]- 425.18820 196.3
[M+Na-2H]- 387.14902 188.4
[M]+ 366.17380 184.9
[M]- 366.17490 184.9
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.