CID 3022466

93805-00-6

Structural Information

Molecular Formula

C₂₁H₂₀N₄O₃

SMILES

CC1=CC(=C(C=C1N=NC2=CC=CC=C2OC)OC)N=NC3=CC=C(C=C3)O

InChI

InChI=1S/C21H20N4O3/c1-14-12-19(25-22-15-8-10-16(26)11-9-15)21(28-3)13-18(14)24-23-17-6-4-5-7-20(17)27-2/h4-13,26H,1-3H3

InChIKey

HCIDJVSSBKXSRX-UHFFFAOYSA-N

Compound name

4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl]diazenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.15353 Da
Monoisotopic Mass: 5.4
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]+	377.160806	189.4
[M+Na]+	399.142748	196.8
[M-H]-	375.146254	203.7
[M+NH4]+	394.187353	202.1
[M+K]+	415.116688	194.3
[M+H-H2O]+	359.150790	177.6
[M+HCOO]-	421.151731	221.8
[M+CH3COO]-	435.167381	235.7
[M+Na-2H]-	397.128196	195.6
[M]+	376.15298142	195.4
[M]-	376.15407858	195.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.