CID 5271239

105663-64-7

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C=C
InChI
InChI=1S/C20H24N2O3/c1-3-16-14-17(20-21-10-12-24-20)8-9-19(16)23-11-6-4-5-7-18-13-15(2)22-25-18/h3,8-9,13-14H,1,4-7,10-12H2,2H3
InChIKey
RQESIYBZQITHTL-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethenylphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.17868 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.3
[M+Na]+ 363.16790 189.4
[M-H]- 339.17140 190.6
[M+NH4]+ 358.21250 193.8
[M+K]+ 379.14184 186.9
[M+H-H2O]+ 323.17594 173.5
[M+HCOO]- 385.17688 202.4
[M+CH3COO]- 399.19253 210.3
[M+Na-2H]- 361.15335 181.9
[M]+ 340.17813 187.9
[M]- 340.17923 187.9
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