CID 5273087

Chembl132017

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC=C(O2)C(=O)C)C)C3=NN(N=N3)C
InChI
InChI=1S/C19H22N4O3/c1-12-10-15(19-20-22-23(4)21-19)11-13(2)18(12)25-9-5-6-16-7-8-17(26-16)14(3)24/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
OQLSWOLOIWCOSZ-UHFFFAOYSA-N
Compound name
1-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]furan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 183.8
[M+Na]+ 377.15842 194.5
[M-H]- 353.16192 190.9
[M+NH4]+ 372.20302 194.0
[M+K]+ 393.13236 191.0
[M+H-H2O]+ 337.16646 173.8
[M+HCOO]- 399.16740 204.2
[M+CH3COO]- 413.18305 215.4
[M+Na-2H]- 375.14387 182.5
[M]+ 354.16865 192.5
[M]- 354.16975 192.5
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

No patent data available for this compound.