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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 189.4
[M+Na]+ 399.14275 196.8
[M-H]- 375.14625 203.7
[M+NH4]+ 394.18735 202.1
[M+K]+ 415.11669 194.3
[M+H-H2O]+ 359.15079 177.6
[M+HCOO]- 421.15173 221.8
[M+CH3COO]- 435.16738 235.7
[M+Na-2H]- 397.12820 195.6
[M]+ 376.15298 195.4
[M]- 376.15408 195.4
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.