CID 170840018

Dtxsid701374730

Structural Information

Molecular Formula
C58H66N6
SMILES
CCN(CC1=CC=C(C=C1)CN(CC)C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)C(=C6C=CC(=[N+](C)C)C=C6)C7=CC=C(C=C7)N(C)C
InChI
InChI=1S/C58H66N6/c1-11-63(55-37-25-49(26-38-55)57(45-17-29-51(30-18-45)59(3)4)46-19-31-52(32-20-46)60(5)6)41-43-13-15-44(16-14-43)42-64(12-2)56-39-27-50(28-40-56)58(47-21-33-53(34-22-47)61(7)8)48-23-35-54(36-24-48)62(9)10/h13-40H,11-12,41-42H2,1-10H3/q+2
InChIKey
RUIUKJNWSKTCCA-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]-[4-[[4-[[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylanilino]methyl]phenyl]methyl-ethylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

846.5349 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.54218 316.7
[M+Na]+ 869.52412 306.6
[M-H]- 845.52762 336.1
[M+NH4]+ 864.56872 306.2
[M+K]+ 885.49806 293.0
[M+H-H2O]+ 829.53216 300.6
[M+HCOO]- 891.53310 331.2
[M+CH3COO]- 905.54875 316.9
[M+Na-2H]- 867.50957 309.0
[M]+ 846.53435 311.6
[M]- 846.53545 311.6
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.