CID 13782133

69432-35-5

Structural Information

Molecular Formula
C52H48N12
SMILES
CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC(=C(C=C3C)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)N=NC6=C(C=C(C(=C6)C)N=NC7=CC=C(C8=CC=CC=C87)NCC)C)C
InChI
InChI=1S/C52H48N12/c1-7-53-45-25-27-47(43-15-11-9-13-41(43)45)59-63-51-31-33(3)49(29-35(51)5)61-57-39-21-17-37(18-22-39)55-56-38-19-23-40(24-20-38)58-62-50-30-36(6)52(32-34(50)4)64-60-48-28-26-46(54-8-2)42-14-10-12-16-44(42)48/h9-32,53-54H,7-8H2,1-6H3
InChIKey
LRHBXCDAXGTABF-UHFFFAOYSA-N
Compound name
N-ethyl-4-[[4-[[4-[[4-[[4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

840.4125 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 841.41978 296.8
[M+Na]+ 863.40172 299.0
[M-H]- 839.40522 321.7
[M+NH4]+ 858.44632 292.7
[M+K]+ 879.37566 295.8
[M+H-H2O]+ 823.40976 273.9
[M+HCOO]- 885.41070 332.3
[M+CH3COO]- 899.42635 299.7
[M+Na-2H]- 861.38717 304.7
[M]+ 840.41195 303.9
[M]- 840.41305 303.9
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

patents stripe