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]+ 303.108776 166.2
[M+Na]+ 325.090718 177.3
[M-H]- 301.094224 168.9
[M+NH4]+ 320.135323 176.6
[M+K]+ 341.064658 173.6
[M+H-H2O]+ 285.098760 156.1
[M+HCOO]- 347.099701 185.5
[M+CH3COO]- 361.115351 177.6
[M+Na-2H]- 323.076166 173.1
[M]+ 302.10095142 172.9
[M]- 302.10204858 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