CID 15954700

1,3,4-oxadiazole, 2-[3,5-dimethyl-4-[3-(3-propyl-5-isoxazolyl)propoxy]phenyl]-5-methyl-

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CCCC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NN=C(O3)C)C
InChI
InChI=1S/C20H25N3O3/c1-5-7-17-12-18(26-23-17)8-6-9-24-19-13(2)10-16(11-14(19)3)20-22-21-15(4)25-20/h10-12H,5-9H2,1-4H3
InChIKey
ZQYPNASMRGVYAZ-UHFFFAOYSA-N
Compound name
2-[3,5-dimethyl-4-[3-(3-propyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.196876 186.2
[M+Na]+ 378.178818 196.7
[M-H]- 354.182324 194.7
[M+NH4]+ 373.223423 196.6
[M+K]+ 394.152758 194.1
[M+H-H2O]+ 338.186860 176.9
[M+HCOO]- 400.187801 207.4
[M+CH3COO]- 414.203451 215.6
[M+Na-2H]- 376.164266 185.8
[M]+ 355.18905142 196.5
[M]- 355.19014858 196.5
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.