CID 3059218

76239-48-0

Structural Information

Molecular Formula

C₁₆H₁₆N₄O₃

SMILES

CC(=CCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NNN=N3)OC)C

InChI

InChI=1S/C16H16N4O3/c1-9(2)4-5-10-6-11-7-12(15-17-19-20-18-15)16(21)23-14(11)8-13(10)22-3/h4,6-8H,5H2,1-3H3,(H,17,18,19,20)

InChIKey

GBCFSIFOKAHKMO-UHFFFAOYSA-N

Compound name

7-methoxy-6-(3-methylbut-2-enyl)-3-(2H-tetrazol-5-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 312.12225 Da
Monoisotopic Mass: 3.0
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]+	313.129526	173.5
[M+Na]+	335.111468	184.9
[M-H]-	311.114974	176.5
[M+NH4]+	330.156073	183.8
[M+K]+	351.085408	180.0
[M+H-H2O]+	295.119510	163.8
[M+HCOO]-	357.120451	191.1
[M+CH3COO]-	371.136101	184.5
[M+Na-2H]-	333.096916	177.3
[M]+	312.12170142	178.6
[M]-	312.12279858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe