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]+ 358.17613 184.1
[M+Na]+ 380.15807 194.8
[M-H]- 356.16157 192.8
[M+NH4]+ 375.20267 194.3
[M+K]+ 396.13201 193.1
[M+H-H2O]+ 340.16611 174.9
[M+HCOO]- 402.16705 205.8
[M+CH3COO]- 416.18270 214.8
[M+Na-2H]- 378.14352 184.4
[M]+ 357.16830 195.5
[M]- 357.16940 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.