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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.