CID 5289566

5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole

Structural Information

Molecular Formula
C19H24N2O3
SMILES
C[C@H]1COC(=N1)C2=CC=C(C=C2)OCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1
InChIKey
UXIYKMARWUSIKU-HNNXBMFYSA-N
Compound name
3-methyl-5-[5-[4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]pentyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

328.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 178.5
[M+Na]+ 351.16790 185.7
[M-H]- 327.17140 186.9
[M+NH4]+ 346.21250 190.6
[M+K]+ 367.14184 184.0
[M+H-H2O]+ 311.17594 169.8
[M+HCOO]- 373.17688 198.7
[M+CH3COO]- 387.19253 208.1
[M+Na-2H]- 349.15335 178.7
[M]+ 328.17813 184.5
[M]- 328.17923 184.5
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

patents stripe