CID 3059216

8-allyloxy-6-methyl-3-(1h-tetrazol-5-yl)coumarin

Structural Information

Molecular Formula
C14H12N4O3
SMILES
CC1=CC2=C(C(=C1)OCC=C)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C14H12N4O3/c1-3-4-20-11-6-8(2)5-9-7-10(13-15-17-18-16-13)14(19)21-12(9)11/h3,5-7H,1,4H2,2H3,(H,15,16,17,18)
InChIKey
WHNSEKOCQCFFCQ-UHFFFAOYSA-N
Compound name
6-methyl-8-prop-2-enoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.09094 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 163.6
[M+Na]+ 307.08016 179.4
[M+NH4]+ 302.12476 169.1
[M+K]+ 323.05410 175.2
[M-H]- 283.08366 165.8
[M+Na-2H]- 305.06561 170.0
[M]+ 284.09039 166.4
[M]- 284.09149 166.4
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