CID 3067224

80916-82-1

Structural Information

Molecular Formula
C15H16N4O4
SMILES
CCCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C15H16N4O4/c1-2-6-21-7-8-22-12-5-3-4-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h3-5,9H,2,6-8H2,1H3,(H,16,17,18,19)
InChIKey
VOUHAUSHHVQTPZ-UHFFFAOYSA-N
Compound name
8-(2-propoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.11716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 171.8
[M+Na]+ 339.10638 186.5
[M+NH4]+ 334.15098 176.8
[M+K]+ 355.08032 182.4
[M-H]- 315.10988 173.7
[M+Na-2H]- 337.09183 177.8
[M]+ 316.11661 174.3
[M]- 316.11771 174.3
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