CID 3048020

63870-06-4

Structural Information

Molecular Formula
C29H29N5O2
SMILES
CN(CCOC1=CC=C(C=C1)N=NC2=CC=CC=C2)CCOC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C29H29N5O2/c1-34(20-22-35-28-16-12-26(13-17-28)32-30-24-8-4-2-5-9-24)21-23-36-29-18-14-27(15-19-29)33-31-25-10-6-3-7-11-25/h2-19H,20-23H2,1H3
InChIKey
ZFQMINYIZPPTKL-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-phenyldiazenylphenoxy)-N-[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.23212 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.23940 216.7
[M+Na]+ 502.22134 218.5
[M-H]- 478.22484 233.5
[M+NH4]+ 497.26594 224.0
[M+K]+ 518.19528 215.3
[M+H-H2O]+ 462.22938 201.2
[M+HCOO]- 524.23032 249.6
[M+CH3COO]- 538.24597 259.1
[M+Na-2H]- 500.20679 223.6
[M]+ 479.23157 221.8
[M]- 479.23267 221.8
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.