CID 516129

Chembl324683

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CCC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C18H23N5O2/c1-5-15-11-16(25-21-15)7-6-8-24-17-12(2)9-14(10-13(17)3)18-19-22-23(4)20-18/h9-11H,5-8H2,1-4H3
InChIKey
HKUFDZKEJFPBQA-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-3-ethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.18518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 182.0
[M+Na]+ 364.17440 193.3
[M-H]- 340.17790 187.5
[M+NH4]+ 359.21900 191.5
[M+K]+ 380.14834 189.1
[M+H-H2O]+ 324.18244 171.2
[M+HCOO]- 386.18338 201.8
[M+CH3COO]- 400.19903 193.1
[M+Na-2H]- 362.15985 181.7
[M]+ 341.18463 190.5
[M]- 341.18573 190.5
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.