CID 572485

Methoxy red

Structural Information

Molecular Formula

C₁₃H₁₄N₄O

SMILES

COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N

InChI

InChI=1S/C13H14N4O/c1-18-11-5-3-10(4-6-11)16-17-13-7-2-9(14)8-12(13)15/h2-8H,14-15H2,1H3

InChIKey

CICOCOPSWDGVSR-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)diazenyl]benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.11676 Da
Monoisotopic Mass: 2.3
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]+	243.12404	152.7
[M+Na]+	265.10598	160.3
[M-H]-	241.10948	161.9
[M+NH4]+	260.15058	170.0
[M+K]+	281.07992	157.7
[M+H-H2O]+	225.11402	143.9
[M+HCOO]-	287.11496	183.6
[M+CH3COO]-	301.13061	207.0
[M+Na-2H]-	263.09143	159.5
[M]+	242.11621	152.2
[M]-	242.11731	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe