CID 16218121

848311-04-6

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

250
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 292.8
[M+Na]+ 758.35052 316.3
[M+NH4]+ 753.39512 301.4
[M+K]+ 774.32446 303.2
[M-H]- 734.35402 305.0
[M+Na-2H]- 756.33597 299.9
[M]+ 735.36075 300.5
[M]- 735.36185 300.5
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