CID 16218121

1,3,5-tris(2-(9-ethylcabazyl-3)ethylene)benzene

Structural Information

Molecular Formula
C54H45N3
SMILES
CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=CC(=CC(=C4)/C=C/C5=CC6=C(N(C7=CC=CC=C67)CC)C=C5)/C=C/C8=CC9=C(N(C1=CC=CC=C91)CC)C=C8
InChI
InChI=1S/C54H45N3/c1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3/h7-36H,4-6H2,1-3H3/b22-19+,23-20+,24-21+
InChIKey
JWTJCIYHZFCEPU-IKVQWSBMSA-N
Compound name
3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

735.3613 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.36858 288.2
[M+Na]+ 758.35052 296.5
[M-H]- 734.35402 302.3
[M+NH4]+ 753.39512 290.8
[M+K]+ 774.32446 281.8
[M+H-H2O]+ 718.35856 272.0
[M+HCOO]- 780.35950 299.9
[M+CH3COO]- 794.37515 290.6
[M+Na-2H]- 756.33597 277.9
[M]+ 735.36075 294.1
[M]- 735.36185 294.1
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