CID 5273086

Chembl134989

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC=C(O2)C=O)C)C3=NN(N=N3)C
InChI
InChI=1S/C20H24N4O3/c1-14-11-16(20-21-23-24(3)22-20)12-15(2)19(14)26-10-6-4-5-7-17-8-9-18(13-25)27-17/h8-9,11-13H,4-7,10H2,1-3H3
InChIKey
SCXPVSANBMDOCW-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.18484 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 188.3
[M+Na]+ 391.17406 198.7
[M-H]- 367.17756 194.9
[M+NH4]+ 386.21866 197.9
[M+K]+ 407.14800 194.5
[M+H-H2O]+ 351.18210 177.8
[M+HCOO]- 413.18304 209.2
[M+CH3COO]- 427.19869 217.4
[M+Na-2H]- 389.15951 187.4
[M]+ 368.18429 197.7
[M]- 368.18539 197.7
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.