CID 15954643

5-ethyl-2-[3-[2,6-dimethyl-4-(2-methyl-tetrazol-5-yl)-phenoxy]-propyl]furan

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CCC1=CC=C(O1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C19H24N4O2/c1-5-16-8-9-17(25-16)7-6-10-24-18-13(2)11-15(12-14(18)3)19-20-22-23(4)21-19/h8-9,11-12H,5-7,10H2,1-4H3
InChIKey
DOALTASKEOVTAO-UHFFFAOYSA-N
Compound name
5-[4-[3-(5-ethylfuran-2-yl)propoxy]-3,5-dimethylphenyl]-2-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.1899 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 182.0
[M+Na]+ 363.17912 192.9
[M-H]- 339.18262 188.7
[M+NH4]+ 358.22372 193.0
[M+K]+ 379.15306 188.8
[M+H-H2O]+ 323.18716 171.8
[M+HCOO]- 385.18810 203.0
[M+CH3COO]- 399.20375 213.2
[M+Na-2H]- 361.16457 181.5
[M]+ 340.18935 190.5
[M]- 340.19045 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

No literature data available for this compound.

Patent stripe

patents stripe