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

4
Patents

340.1899 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 182.0
[M+Na]+ 363.179118 192.9
[M-H]- 339.182624 188.7
[M+NH4]+ 358.223723 193.0
[M+K]+ 379.153058 188.8
[M+H-H2O]+ 323.187160 171.8
[M+HCOO]- 385.188101 203.0
[M+CH3COO]- 399.203751 213.2
[M+Na-2H]- 361.164566 181.5
[M]+ 340.18935142 190.5
[M]- 340.19044858 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