CID 3067229

80916-87-6

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CCOCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C16H18N4O4/c1-2-22-8-3-4-9-23-13-7-5-6-11-10-12(15-17-19-20-18-15)16(21)24-14(11)13/h5-7,10H,2-4,8-9H2,1H3,(H,17,18,19,20)
InChIKey
BLWURIRWYIJULF-UHFFFAOYSA-N
Compound name
8-(4-ethoxybutoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.1328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 176.3
[M+Na]+ 353.12202 190.8
[M+NH4]+ 348.16662 181.1
[M+K]+ 369.09596 186.5
[M-H]- 329.12552 178.1
[M+Na-2H]- 351.10747 182.0
[M]+ 330.13225 178.7
[M]- 330.13335 178.7
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