CID 516145

Chembl109519

Structural Information

Molecular Formula
C18H23N5O3
SMILES
CCOC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C18H23N5O3/c1-5-24-16-11-15(26-21-16)7-6-8-25-17-12(2)9-14(10-13(17)3)18-19-22-23(4)20-18/h9-11H,5-8H2,1-4H3
InChIKey
NQHNWRGMLHHVDO-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-3-ethoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.18008 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18736 184.4
[M+Na]+ 380.16930 195.4
[M-H]- 356.17280 190.0
[M+NH4]+ 375.21390 193.1
[M+K]+ 396.14324 191.9
[M+H-H2O]+ 340.17734 173.5
[M+HCOO]- 402.17828 204.4
[M+CH3COO]- 416.19393 215.2
[M+Na-2H]- 378.15475 184.2
[M]+ 357.17953 194.2
[M]- 357.18063 194.2
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

No patent data available for this compound.