CID 82443

Einecs 233-485-4

Structural Information

Molecular Formula
C22H22N4O4
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)OCCO)OC)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C22H22N4O4/c1-15-13-21(26-24-16-3-7-18(28)8-4-16)22(29-2)14-20(15)25-23-17-5-9-19(10-6-17)30-12-11-27/h3-10,13-14,27-28H,11-12H2,1-2H3
InChIKey
CSYOIBKALOSKGZ-UHFFFAOYSA-N
Compound name
4-[[4-[[4-(2-hydroxyethoxy)phenyl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 195.8
[M+Na]+ 429.15332 202.0
[M-H]- 405.15682 208.4
[M+NH4]+ 424.19792 206.3
[M+K]+ 445.12726 199.3
[M+H-H2O]+ 389.16136 183.7
[M+HCOO]- 451.16230 226.5
[M+CH3COO]- 465.17795 238.6
[M+Na-2H]- 427.13877 201.3
[M]+ 406.16355 201.6
[M]- 406.16465 201.6
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.