CID 5273046

Chembl286022

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NOC(=N3)C)C
InChI
InChI=1S/C19H23N3O3/c1-5-16-11-17(25-21-16)7-6-8-23-18-12(2)9-15(10-13(18)3)19-20-14(4)24-22-19/h9-11H,5-8H2,1-4H3
InChIKey
RPKUHTLCBUAJKP-UHFFFAOYSA-N
Compound name
3-[4-[3-(3-ethyl-1,2-oxazol-5-yl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

341.17395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 181.6
[M+Na]+ 364.16317 192.6
[M-H]- 340.16667 190.3
[M+NH4]+ 359.20777 192.6
[M+K]+ 380.13711 190.2
[M+H-H2O]+ 324.17121 172.6
[M+HCOO]- 386.17215 203.2
[M+CH3COO]- 400.18780 212.7
[M+Na-2H]- 362.14862 181.7
[M]+ 341.17340 191.6
[M]- 341.17450 191.6
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