CID 3059197

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

Structural Information

Molecular Formula
C12H10N4O3
SMILES
CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C12H10N4O3/c1-2-18-9-5-3-4-7-6-8(11-13-15-16-14-11)12(17)19-10(7)9/h3-6H,2H2,1H3,(H,13,14,15,16)
InChIKey
DZEXGGCYFBFCSJ-UHFFFAOYSA-N
Compound name
8-ethoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.082576 154.9
[M+Na]+ 281.064518 167.2
[M-H]- 257.068024 157.9
[M+NH4]+ 276.109123 167.3
[M+K]+ 297.038458 163.3
[M+H-H2O]+ 241.072560 145.4
[M+HCOO]- 303.073501 174.8
[M+CH3COO]- 317.089151 167.4
[M+Na-2H]- 279.049966 162.7
[M]+ 258.07475142 159.6
[M]- 258.07584858 159.6
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