CID 6483420

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

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CCOC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NOC(=N3)C)C
InChI
InChI=1S/C19H23N3O4/c1-5-23-17-11-16(26-21-17)7-6-8-24-18-12(2)9-15(10-13(18)3)19-20-14(4)25-22-19/h9-11H,5-8H2,1-4H3
InChIKey
USZGGYKQDKOOPW-UHFFFAOYSA-N
Compound name
3-[4-[3-(3-ethoxy-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

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.176126 184.1
[M+Na]+ 380.158068 194.8
[M-H]- 356.161574 192.8
[M+NH4]+ 375.202673 194.3
[M+K]+ 396.132008 193.1
[M+H-H2O]+ 340.166110 174.9
[M+HCOO]- 402.167051 205.8
[M+CH3COO]- 416.182701 214.8
[M+Na-2H]- 378.143516 184.4
[M]+ 357.16830142 195.5
[M]- 357.16939858 195.5
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.