CID 214639

33544-15-9

Structural Information

Molecular Formula

C₁₁H₈N₄O₃

SMILES

COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=NNN=N3

InChI

InChI=1S/C11H8N4O3/c1-17-6-2-3-7-8(16)5-10(18-9(7)4-6)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)

InChIKey

UMTVSAMWMQVVMN-UHFFFAOYSA-N

Compound name

7-methoxy-2-(2H-tetrazol-5-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.05965 Da
Monoisotopic Mass: 0.7
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]+	245.06693	150.5
[M+Na]+	267.04887	166.5
[M+NH4]+	262.09347	156.8
[M+K]+	283.02281	162.9
[M-H]-	243.05237	153.0
[M+Na-2H]-	265.03432	158.0
[M]+	244.05910	153.4
[M]-	244.06020	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe