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]+ 358.187356 184.4
[M+Na]+ 380.169298 195.4
[M-H]- 356.172804 190.0
[M+NH4]+ 375.213903 193.1
[M+K]+ 396.143238 191.9
[M+H-H2O]+ 340.177340 173.5
[M+HCOO]- 402.178281 204.4
[M+CH3COO]- 416.193931 215.2
[M+Na-2H]- 378.154746 184.2
[M]+ 357.17953142 194.2
[M]- 357.18062858 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.