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]+ 331.140076 175.2
[M+Na]+ 353.122018 185.3
[M-H]- 329.125524 177.5
[M+NH4]+ 348.166623 184.4
[M+K]+ 369.095958 181.2
[M+H-H2O]+ 313.130060 164.6
[M+HCOO]- 375.131001 193.7
[M+CH3COO]- 389.146651 205.0
[M+Na-2H]- 351.107466 181.0
[M]+ 330.13225142 182.5
[M]- 330.13334858 182.5
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