CID 173443

75627-15-5

Structural Information

Molecular Formula
C26H28N6O5S
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=CC=C(C=C3)OCCOS(=O)(=O)O)C
InChI
InChI=1S/C26H28N6O5S/c1-3-32(16-4-15-27)24-10-5-21(6-11-24)28-30-23-9-14-26(20(2)19-23)31-29-22-7-12-25(13-8-22)36-17-18-37-38(33,34)35/h5-14,19H,3-4,16-18H2,1-2H3,(H,33,34,35)
InChIKey
KSUYIPQJZPIGOG-UHFFFAOYSA-N
Compound name
2-[4-[[4-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-2-methylphenyl]diazenyl]phenoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1842 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19148 227.2
[M+Na]+ 559.17342 235.8
[M+NH4]+ 554.21802 227.8
[M+K]+ 575.14736 224.3
[M-H]- 535.17692 226.4
[M+Na-2H]- 557.15887 232.5
[M]+ 536.18365 227.5
[M]- 536.18475 227.5
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.