CID 173912

63281-05-0

Structural Information

Molecular Formula
C41H44N8O4
SMILES
CC1=C(C(=NC(=C1N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)NCCCOCCOC4=CC=CC=C4)NCCCOCCOC5=CC=CC=C5)C#N
InChI
InChI=1S/C41H44N8O4/c1-32-38(31-42)40(43-23-11-25-50-27-29-52-36-15-7-3-8-16-36)45-41(44-24-12-26-51-28-30-53-37-17-9-4-10-18-37)39(32)49-48-35-21-19-34(20-22-35)47-46-33-13-5-2-6-14-33/h2-10,13-22H,11-12,23-30H2,1H3,(H2,43,44,45)
InChIKey
PMWAPTJFFJZQJG-UHFFFAOYSA-N
Compound name
4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

712.3486 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.35588 286.7
[M+Na]+ 735.33782 297.9
[M+NH4]+ 730.38242 286.8
[M+K]+ 751.31176 282.3
[M-H]- 711.34132 291.1
[M+Na-2H]- 733.32327 293.8
[M]+ 712.34805 288.7
[M]- 712.34915 288.7
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.