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 267.3
[M+Na]+ 735.33782 267.9
[M-H]- 711.34132 277.4
[M+NH4]+ 730.38242 261.7
[M+K]+ 751.31176 260.6
[M+H-H2O]+ 695.34586 242.5
[M+HCOO]- 757.34680 289.9
[M+CH3COO]- 771.36245 299.5
[M+Na-2H]- 733.32327 269.5
[M]+ 712.34805 267.7
[M]- 712.34915 267.7
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.