CID 3059213

76239-43-5

Structural Information

Molecular Formula
C13H12N4O3
SMILES
CCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NNN=N3)OC
InChI
InChI=1S/C13H12N4O3/c1-3-7-4-8-5-9(12-14-16-17-15-12)13(18)20-11(8)6-10(7)19-2/h4-6H,3H2,1-2H3,(H,14,15,16,17)
InChIKey
QLOJZZRUSFKGFR-UHFFFAOYSA-N
Compound name
6-ethyl-7-methoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.09094 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.098216 160.4
[M+Na]+ 295.080158 173.2
[M-H]- 271.083664 163.7
[M+NH4]+ 290.124763 172.5
[M+K]+ 311.054098 169.0
[M+H-H2O]+ 255.088200 151.0
[M+HCOO]- 317.089141 179.9
[M+CH3COO]- 331.104791 172.7
[M+Na-2H]- 293.065606 166.9
[M]+ 272.09039142 165.9
[M]- 272.09148858 165.9
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