CID 3022466

Einecs 298-480-1

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 192.0
[M+Na]+ 399.14275 206.4
[M+NH4]+ 394.18735 199.3
[M+K]+ 415.11669 197.4
[M-H]- 375.14625 201.5
[M+Na-2H]- 397.12820 203.5
[M]+ 376.15298 196.7
[M]- 376.15408 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.