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]+ 383.20778 192.8
[M+Na]+ 405.18972 202.5
[M-H]- 381.19322 199.4
[M+NH4]+ 400.23432 201.8
[M+K]+ 421.16366 198.6
[M+H-H2O]+ 365.19776 182.4
[M+HCOO]- 427.19870 212.5
[M+CH3COO]- 441.21435 221.2
[M+Na-2H]- 403.17517 190.3
[M]+ 382.19995 202.0
[M]- 382.20105 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.