CID 3067223

80916-81-0

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C14H14N4O4/c1-2-20-6-7-21-11-5-3-4-9-8-10(13-15-17-18-16-13)14(19)22-12(9)11/h3-5,8H,2,6-7H2,1H3,(H,15,16,17,18)
InChIKey
QZNAWTCGWOPFGI-UHFFFAOYSA-N
Compound name
8-(2-ethoxyethoxy)-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 167.3
[M+Na]+ 325.09072 182.2
[M+NH4]+ 320.13532 172.5
[M+K]+ 341.06466 178.4
[M-H]- 301.09422 169.2
[M+Na-2H]- 323.07617 173.5
[M]+ 302.10095 169.8
[M]- 302.10205 169.8
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