CID 66685

Fast blue b

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₂

SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N

InChI

InChI=1S/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2

InChIKey

QMMMCTXNYMSXLI-UHFFFAOYSA-N

Compound name

4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 602
References: 7265
Patents: 268.09604 Da
Monoisotopic Mass: 4.8
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]+	269.10332	176.0
[M+Na]+	291.08526	185.9
[M-H]-	267.08876	182.2
[M+NH4]+	286.12986	186.3
[M+K]+	307.05920	175.3
[M+H-H2O]+	251.09330	162.7
[M+HCOO]-	313.09424	191.0
[M+CH3COO]-	327.10989	223.2
[M+Na-2H]-	289.07071	180.4
[M]+	268.09549	169.1
[M]-	268.09659	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe