CID 142279174

Dtxsid501386967

Structural Information

Molecular Formula
C88H112F2N2O4Si
SMILES
CC(C)[Si](COC1=C(C=C(C=C1)F)C2=C(C(=CC(=C2)C(C)(C)CC(C)(C)C)N3C4=C(C=C(C=C4)C(C)(C)C)C5=C3C=CC(=C5)C(C)(C)C)O)(COC6=C(C=C(C=C6)F)C7=C(C(=CC(=C7)C(C)(C)CC(C)(C)C)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C)O)C(C)C
InChI
InChI=1S/C88H112F2N2O4Si/c1-53(2)97(54(3)4,51-95-77-37-31-61(89)47-67(77)69-43-59(87(23,24)49-81(5,6)7)45-75(79(69)93)91-71-33-27-55(83(11,12)13)39-63(71)64-40-56(84(14,15)16)28-34-72(64)91)52-96-78-38-32-62(90)48-68(78)70-44-60(88(25,26)50-82(8,9)10)46-76(80(70)94)92-73-35-29-57(85(17,18)19)41-65(73)66-42-58(86(20,21)22)30-36-74(66)92/h27-48,53-54,93-94H,49-52H2,1-26H3
InChIKey
XLXYCXNVYMXVMK-UHFFFAOYSA-N
Compound name
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]methyl-di(propan-2-yl)silyl]methoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

1326.8359 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1327.8432 317.0
[M+Na]+ 1349.8251 339.6
[M-H]- 1325.8286 328.4
[M+NH4]+ 1344.8697 327.3
[M+K]+ 1365.7991 315.1
[M+H-H2O]+ 1309.8332 299.6
[M+HCOO]- 1371.8341 327.3
[M+CH3COO]- 1385.8498 328.6
[M+Na-2H]- 1347.8106 334.8
[M]+ 1326.8354 363.2
[M]- 1326.8364 363.2
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