CID 173911

3-pyridinecarbonitrile, 5-[[2-chloro-4-(phenylazo)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-

Structural Information

Molecular Formula
C41H43ClN8O4
SMILES
CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)N=NC3=CC=CC=C3)Cl)NCCCOCCOC4=CC=CC=C4)NCCCOCCOC5=CC=CC=C5)C#N
InChI
InChI=1S/C41H43ClN8O4/c1-31-36(30-43)40(44-21-11-23-51-25-27-53-34-15-7-3-8-16-34)46-41(45-22-12-24-52-26-28-54-35-17-9-4-10-18-35)39(31)50-49-38-20-19-33(29-37(38)42)48-47-32-13-5-2-6-14-32/h2-10,13-20,29H,11-12,21-28H2,1H3,(H2,44,45,46)
InChIKey
SWIMBWSTYURRNJ-UHFFFAOYSA-N
Compound name
5-[(2-chloro-4-phenyldiazenylphenyl)diazenyl]-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.3096 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.31688 277.0
[M+Na]+ 769.29882 279.3
[M-H]- 745.30232 287.3
[M+NH4]+ 764.34342 271.6
[M+K]+ 785.27276 271.2
[M+H-H2O]+ 729.30686 252.9
[M+HCOO]- 791.30780 295.9
[M+CH3COO]- 805.32345 303.0
[M+Na-2H]- 767.28427 277.9
[M]+ 746.30905 280.6
[M]- 746.31015 280.6
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.