CID 3059196

8-n-pentyloxy-3-(1h-tetrazol-5-yl)coumarin

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H16N4O3/c1-2-3-4-8-21-12-7-5-6-10-9-11(14-16-18-19-17-14)15(20)22-13(10)12/h5-7,9H,2-4,8H2,1H3,(H,16,17,18,19)
InChIKey
CCDCCIPDAJMOKD-UHFFFAOYSA-N
Compound name
8-pentoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.12225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 168.6
[M+Na]+ 323.11147 183.8
[M+NH4]+ 318.15607 174.2
[M+K]+ 339.08541 179.2
[M-H]- 299.11497 170.9
[M+Na-2H]- 321.09692 175.0
[M]+ 300.12170 171.3
[M]- 300.12280 171.3
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