CID 5273085

Chembl133916

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC=C(O2)C(=O)C)C)C3=NN(N=N3)C
InChI
InChI=1S/C21H26N4O3/c1-14-12-17(21-22-24-25(4)23-21)13-15(2)20(14)27-11-7-5-6-8-18-9-10-19(28-18)16(3)26/h9-10,12-13H,5-8,11H2,1-4H3
InChIKey
GMZRJVYJXGKTQU-UHFFFAOYSA-N
Compound name
1-[5-[5-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]furan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.2005 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 192.8
[M+Na]+ 405.189718 202.5
[M-H]- 381.193224 199.4
[M+NH4]+ 400.234323 201.8
[M+K]+ 421.163658 198.6
[M+H-H2O]+ 365.197760 182.4
[M+HCOO]- 427.198701 212.5
[M+CH3COO]- 441.214351 221.2
[M+Na-2H]- 403.175166 190.3
[M]+ 382.19995142 202.0
[M]- 382.20104858 202.0
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.