CID 214631

33544-06-8

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

CC1=CC(=C2C(=C1)OC(=CC2=O)C3=NNN=N3)C

InChI

InChI=1S/C12H10N4O2/c1-6-3-7(2)11-8(17)5-10(18-9(11)4-6)12-13-15-16-14-12/h3-5H,1-2H3,(H,13,14,15,16)

InChIKey

FBHJCKIOSMTRGB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.08037 Da
Monoisotopic Mass: 1.5
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]+	243.087646	153.2
[M+Na]+	265.069588	166.8
[M-H]-	241.073094	156.6
[M+NH4]+	260.114193	166.7
[M+K]+	281.043528	162.1
[M+H-H2O]+	225.077630	144.2
[M+HCOO]-	287.078571	172.9
[M+CH3COO]-	301.094221	166.2
[M+Na-2H]-	263.055036	160.1
[M]+	242.07982142	157.0
[M]-	242.08091858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe