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 177.2
[M+Na]+ 369.11694 186.9
[M-H]- 345.12044 179.5
[M+NH4]+ 364.16154 185.5
[M+K]+ 385.09088 183.5
[M+H-H2O]+ 329.12498 166.4
[M+HCOO]- 391.12592 195.8
[M+CH3COO]- 405.14157 207.2
[M+Na-2H]- 367.10239 183.1
[M]+ 346.12717 185.8
[M]- 346.12827 185.8
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