CID 8411

3,3'-dimethoxybenzidine

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

InChI

InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3

InChIKey

JRBJSXQPQWSCCF-UHFFFAOYSA-N

Compound name

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 209
References: 28980
Patents: 244.12119 Da
Monoisotopic Mass: 2.2
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]+	245.12847	155.2
[M+Na]+	267.11041	163.7
[M-H]-	243.11391	161.9
[M+NH4]+	262.15501	172.1
[M+K]+	283.08435	160.3
[M+H-H2O]+	227.11845	147.6
[M+HCOO]-	289.11939	180.8
[M+CH3COO]-	303.13504	199.6
[M+Na-2H]-	265.09586	159.0
[M]+	244.12064	155.3
[M]-	244.12174	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe