CID 3059205

76239-35-5

Structural Information

Molecular Formula
C25H36N4O3
SMILES
CCCCCCCCCCCCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C25H36N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-31-22-17-15-16-20-19-21(24-26-28-29-27-24)25(30)32-23(20)22/h15-17,19H,2-14,18H2,1H3,(H,26,27,28,29)
InChIKey
DKSTXPLHXADIBP-UHFFFAOYSA-N
Compound name
8-pentadecoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.27875 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.28603 213.4
[M+Na]+ 463.26797 226.4
[M+NH4]+ 458.31257 217.2
[M+K]+ 479.24191 219.5
[M-H]- 439.27147 215.3
[M+Na-2H]- 461.25342 217.0
[M]+ 440.27820 215.6
[M]- 440.27930 215.6
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