CID 5271221

105639-03-0

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC1=C(C=CC(=C1)OCCCCCC2=CC(=NO2)C)C3=NCCO3
InChI
InChI=1S/C19H24N2O3/c1-14-12-16(7-8-18(14)19-20-9-11-23-19)22-10-5-3-4-6-17-13-15(2)21-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKey
FGPKIAZDSBSXGE-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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