CID 3059207

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

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C=CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C13H10N4O3/c1-2-6-19-10-5-3-4-8-7-9(12-14-16-17-15-12)13(18)20-11(8)10/h2-5,7H,1,6H2,(H,14,15,16,17)
InChIKey
KEMRQNXEPZIOJE-UHFFFAOYSA-N
Compound name
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

270.0753 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 158.7
[M+Na]+ 293.06452 174.3
[M+NH4]+ 288.10912 164.3
[M+K]+ 309.03846 170.1
[M-H]- 269.06802 160.8
[M+Na-2H]- 291.04997 165.6
[M]+ 270.07475 161.4
[M]- 270.07585 161.4
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