CID 3059231

76253-49-1

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CCCCCCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C19H24N4O3/c1-2-3-4-5-6-7-8-12-25-16-11-9-10-14-13-15(18-20-22-23-21-18)19(24)26-17(14)16/h9-11,13H,2-8,12H2,1H3,(H,20,21,22,23)
InChIKey
JYMNBIWDSUYAFR-UHFFFAOYSA-N
Compound name
8-nonoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.18484 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 186.2
[M+Na]+ 379.17406 195.2
[M-H]- 355.17756 187.9
[M+NH4]+ 374.21866 194.4
[M+K]+ 395.14800 189.7
[M+H-H2O]+ 339.18210 175.2
[M+HCOO]- 401.18304 203.6
[M+CH3COO]- 415.19869 211.6
[M+Na-2H]- 377.15951 190.3
[M]+ 356.18429 193.1
[M]- 356.18539 193.1
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