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 166.2
[M+Na]+ 325.09072 177.3
[M-H]- 301.09422 168.9
[M+NH4]+ 320.13532 176.6
[M+K]+ 341.06466 173.6
[M+H-H2O]+ 285.09876 156.1
[M+HCOO]- 347.09970 185.5
[M+CH3COO]- 361.11535 177.6
[M+Na-2H]- 323.07617 173.1
[M]+ 302.10095 172.9
[M]- 302.10205 172.9
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