CID 3059220

76239-50-4

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CCOC1=CC2=C(C=C(C(=O)O2)C3=NNN=N3)C(=C1)OCC
InChI
InChI=1S/C14H14N4O4/c1-3-20-8-5-11(21-4-2)9-7-10(13-15-17-18-16-13)14(19)22-12(9)6-8/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKey
UZDGJFDZYQXBFS-UHFFFAOYSA-N
Compound name
5,7-diethoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.1015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 167.3
[M+Na]+ 325.09072 179.3
[M-H]- 301.09422 170.4
[M+NH4]+ 320.13532 178.0
[M+K]+ 341.06466 175.6
[M+H-H2O]+ 285.09876 157.5
[M+HCOO]- 347.09970 186.6
[M+CH3COO]- 361.11535 179.0
[M+Na-2H]- 323.07617 173.4
[M]+ 302.10095 174.5
[M]- 302.10205 174.5
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