CID 76816200

31799-91-4

Structural Information

Molecular Formula
C87H74N2O2
SMILES
CC=C(C=CCC=CC1C(N(C2=C1C=C(C=C2)C3=CCC(C=C3)C4=CC=CC5=C4OC(=C5C=C)C=C)C6=CC=C7C(C6)C(C8=C7C=CC(=C8)N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1)(C)C)C=C)C(=CC=C)C1=CC2=CC=CC=C2O1
InChI
InChI=1S/C87H74N2O2/c1-8-25-72(85-55-66-31-22-23-35-84(66)90-85)58(9-2)26-16-15-21-32-76-78-54-65(63-36-38-64(39-37-63)73-33-24-34-77-71(10-3)83(12-5)91-86(73)77)44-53-82(78)89(81(76)11-4)70-50-52-75-74-51-49-69(56-79(74)87(6,7)80(75)57-70)88(67-45-40-61(41-46-67)59-27-17-13-18-28-59)68-47-42-62(43-48-68)60-29-19-14-20-30-60/h8-14,16-38,40-56,64,76,80-81H,1,3-5,15,39,57H2,2,6-7H3
InChIKey
RQGAYHMNOBISDK-UHFFFAOYSA-N
Compound name
7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

1178.5751 Da
Monoisotopic Mass

23.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1179.5824 313.5
[M+Na]+ 1201.5643 319.0
[M+NH4]+ 1196.6089 317.4
[M+K]+ 1217.5383 320.8
[M-H]- 1177.5678 315.9
[M+Na-2H]- 1199.5498 323.3
[M]+ 1178.5746 316.8
[M]- 1178.5756 316.8
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