CID 56843540

66755-08-6

Structural Information

Molecular Formula
C42H62N10S2
SMILES
CCN(CC[N+](C)(C)CCCN)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)SSC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(CC)CC[N+](C)(C)CCCN
InChI
InChI=1S/C42H62N10S2/c1-7-49(29-33-51(3,4)31-9-27-43)39-19-11-35(12-20-39)45-47-37-15-23-41(24-16-37)53-54-42-25-17-38(18-26-42)48-46-36-13-21-40(22-14-36)50(8-2)30-34-52(5,6)32-10-28-44/h11-26H,7-10,27-34,43-44H2,1-6H3/q+2
InChIKey
ZAROZXYYFBJKOP-UHFFFAOYSA-N
Compound name
3-aminopropyl-[2-[4-[[4-[[4-[[4-[2-[3-aminopropyl(dimethyl)azaniumyl]ethyl-ethylamino]phenyl]diazenyl]phenyl]disulfanyl]phenyl]diazenyl]-N-ethylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

770.46 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.46728 264.8
[M+Na]+ 793.44922 258.8
[M-H]- 769.45272 278.9
[M+NH4]+ 788.49382 261.5
[M+K]+ 809.42316 243.4
[M+H-H2O]+ 753.45726 252.1
[M+HCOO]- 815.45820 283.4
[M+CH3COO]- 829.47385 311.3
[M+Na-2H]- 791.43467 275.1
[M]+ 770.45945 268.2
[M]- 770.46055 268.2
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.