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]+ 273.09822 160.4
[M+Na]+ 295.08016 173.2
[M-H]- 271.08366 163.7
[M+NH4]+ 290.12476 172.5
[M+K]+ 311.05410 169.0
[M+H-H2O]+ 255.08820 151.0
[M+HCOO]- 317.08914 179.9
[M+CH3COO]- 331.10479 172.7
[M+Na-2H]- 293.06561 166.9
[M]+ 272.09039 165.9
[M]- 272.09149 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