CID 5271227

105639-08-5

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(C)C
InChI
InChI=1S/C21H28N2O3/c1-15(2)19-14-17(21-22-10-12-25-21)8-9-20(19)24-11-6-4-5-7-18-13-16(3)23-26-18/h8-9,13-15H,4-7,10-12H2,1-3H3
InChIKey
APTWZLHUHMDJPS-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-ylphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

356.21 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.4
[M+Na]+ 379.19922 194.3
[M-H]- 355.20272 196.6
[M+NH4]+ 374.24382 199.2
[M+K]+ 395.17316 192.7
[M+H-H2O]+ 339.20726 179.5
[M+HCOO]- 401.20820 206.9
[M+CH3COO]- 415.22385 214.8
[M+Na-2H]- 377.18467 186.3
[M]+ 356.20945 194.4
[M]- 356.21055 194.4
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