CID 5272155

98033-95-5

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC1=NOC(=C1)CCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C17H20N2O3/c1-13-12-16(22-19-13)4-2-3-10-20-15-7-5-14(6-8-15)17-18-9-11-21-17/h5-8,12H,2-4,9-11H2,1H3
InChIKey
BTENOQSYMMDCDC-UHFFFAOYSA-N
Compound name
5-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

300.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 168.8
[M+Na]+ 323.13662 176.0
[M-H]- 299.14012 177.2
[M+NH4]+ 318.18122 181.8
[M+K]+ 339.11056 174.8
[M+H-H2O]+ 283.14466 160.2
[M+HCOO]- 345.14560 189.7
[M+CH3COO]- 359.16125 180.6
[M+Na-2H]- 321.12207 170.7
[M]+ 300.14685 173.7
[M]- 300.14795 173.7
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.