CID 3067231

80916-89-8

Structural Information

Molecular Formula
C16H18N4O5
SMILES
CCOCCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C16H18N4O5/c1-2-22-6-7-23-8-9-24-13-5-3-4-11-10-12(15-17-19-20-18-15)16(21)25-14(11)13/h3-5,10H,2,6-9H2,1H3,(H,17,18,19,20)
InChIKey
SUALPMDCZFZLEO-UHFFFAOYSA-N
Compound name
8-[2-(2-ethoxyethoxy)ethoxy]-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.12772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13500 179.4
[M+Na]+ 369.11694 193.4
[M+NH4]+ 364.16154 183.6
[M+K]+ 385.09088 189.7
[M-H]- 345.12044 180.8
[M+Na-2H]- 367.10239 184.6
[M]+ 346.12717 181.6
[M]- 346.12827 181.6
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