PubChemLite - Gohxgtjscvwihe-uhfffaoysa-n (C24H24N2O9)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)OC)N=NC2=C(C=CC3=CC=CC=C32)OC4C(C(C(C(O4)C(=O)O)O)O)O

InChI

InChI=1S/C24H24N2O9/c1-32-13-8-10-16(33-2)15(11-13)25-26-18-14-6-4-3-5-12(14)7-9-17(18)34-24-21(29)19(27)20(28)22(35-24)23(30)31/h3-11,19-22,24,27-29H,1-2H3,(H,30,31)

InChIKey

GOHXGTJSCVWIHE-UHFFFAOYSA-N

Compound name

6-[1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

2D Structure

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]+	485.15548	210.0
[M+Na]+	507.13742	214.3
[M-H]-	483.14092	218.6
[M+NH4]+	502.18202	214.4
[M+K]+	523.11136	214.7
[M+H-H2O]+	467.14546	198.9
[M+HCOO]-	529.14640	225.9
[M+CH3COO]-	543.16205	242.9
[M+Na-2H]-	505.12287	210.9
[M]+	484.14765	213.9
[M]-	484.14875	213.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.15548

210.0

[M+Na]+

507.13742

214.3

[M-H]-

483.14092

218.6

[M+NH4]+

502.18202

214.4

[M+K]+

523.11136

214.7

[M+H-H2O]+

467.14546

198.9

[M+HCOO]-

529.14640

225.9

[M+CH3COO]-

543.16205

242.9

[M+Na-2H]-

505.12287

210.9

[M]+

484.14765

213.9

[M]-

484.14875

213.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Gohxgtjscvwihe-uhfffaoysa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe