CID 3059220

76239-50-4

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₄

SMILES

CCOC1=CC2=C(C=C(C(=O)O2)C3=NNN=N3)C(=C1)OCC

InChI

InChI=1S/C14H14N4O4/c1-3-20-8-5-11(21-4-2)9-7-10(13-15-17-18-16-13)14(19)22-12(9)6-8/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)

InChIKey

UZDGJFDZYQXBFS-UHFFFAOYSA-N

Compound name

5,7-diethoxy-3-(2H-tetrazol-5-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 302.1015 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.108776	167.3
[M+Na]+	325.090718	179.3
[M-H]-	301.094224	170.4
[M+NH4]+	320.135323	178.0
[M+K]+	341.064658	175.6
[M+H-H2O]+	285.098760	157.5
[M+HCOO]-	347.099701	186.6
[M+CH3COO]-	361.115351	179.0
[M+Na-2H]-	323.076166	173.4
[M]+	302.10095142	174.5
[M]-	302.10204858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe