CID 103083

Dtxsid00889837

Structural Information

Molecular Formula
C44H64N8O
SMILES
CCN(CC[N+](CC)(CC)CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(CC)CC[N+](CC)(CC)CC
InChI
InChI=1S/C44H64N8O/c1-9-49(33-35-51(11-3,12-4)13-5)41-25-17-37(18-26-41)45-47-39-21-29-43(30-22-39)53-44-31-23-40(24-32-44)48-46-38-19-27-42(28-20-38)50(10-2)34-36-52(14-6,15-7)16-8/h17-32H,9-16,33-36H2,1-8H3/q+2
InChIKey
WINDWXXELFXLFD-UHFFFAOYSA-N
Compound name
triethyl-[2-[N-ethyl-4-[[4-[4-[[4-[ethyl-[2-(triethylazaniumyl)ethyl]amino]phenyl]diazenyl]phenoxy]phenyl]diazenyl]anilino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.5203 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.52758 283.2
[M+Na]+ 743.50952 277.8
[M-H]- 719.51302 300.6
[M+NH4]+ 738.55412 281.8
[M+K]+ 759.48346 265.3
[M+H-H2O]+ 703.51756 269.8
[M+HCOO]- 765.51850 310.9
[M+CH3COO]- 779.53415 307.5
[M+Na-2H]- 741.49497 290.1
[M]+ 720.51975 290.2
[M]- 720.52085 290.2
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.