CID 3022234

Brn 4715696

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₄

SMILES

COC1=CC=CC=C1C2=CC=C(O2)C3=NN=NN3CC(=O)O

InChI

InChI=1S/C14H12N4O4/c1-21-10-5-3-2-4-9(10)11-6-7-12(22-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)

InChIKey

PHCVYDLEBSSIRG-UHFFFAOYSA-N

Compound name

2-[5-[5-(2-methoxyphenyl)furan-2-yl]tetrazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.08585 Da
Monoisotopic Mass: 1.7
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]+	301.093126	163.3
[M+Na]+	323.075068	173.6
[M-H]-	299.078574	169.1
[M+NH4]+	318.119673	174.2
[M+K]+	339.049008	171.2
[M+H-H2O]+	283.083110	153.7
[M+HCOO]-	345.084051	184.1
[M+CH3COO]-	359.099701	175.3
[M+Na-2H]-	321.060516	165.7
[M]+	300.08530142	168.9
[M]-	300.08639858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe