CID 3059211

76239-41-3

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

CCCOC1=CC(=CC2=C1OC(=O)C(=C2)C3=NNN=N3)C

InChI

InChI=1S/C14H14N4O3/c1-3-4-20-11-6-8(2)5-9-7-10(13-15-17-18-16-13)14(19)21-12(9)11/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)

InChIKey

MSJCXIFLFBVMJN-UHFFFAOYSA-N

Compound name

6-methyl-8-propoxy-3-(2H-tetrazol-5-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.1066 Da
Monoisotopic Mass: 2.4
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]+	287.113876	165.0
[M+Na]+	309.095818	177.3
[M-H]-	285.099324	168.0
[M+NH4]+	304.140423	176.5
[M+K]+	325.069758	172.8
[M+H-H2O]+	269.103860	155.3
[M+HCOO]-	331.104801	184.1
[M+CH3COO]-	345.120451	176.8
[M+Na-2H]-	307.081266	170.9
[M]+	286.10605142	170.8
[M]-	286.10714858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe