CID 66807519

Schembl808150

Structural Information

Molecular Formula
C49H33N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=CC=C9C1=CC=CC=C1
InChI
InChI=1S/C49H33N/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(48-26-14-10-19-39(48)36-17-5-2-6-18-36)38-31-32-43-42-22-9-13-25-46(42)49(47(43)33-38)44-23-11-7-20-40(44)41-21-8-12-24-45(41)49/h1-33H
InChIKey
XEGAGVVTQLXSFA-UHFFFAOYSA-N
Compound name
N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

635.2613 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.26858 255.4
[M+Na]+ 658.25052 260.4
[M-H]- 634.25402 274.2
[M+NH4]+ 653.29512 262.4
[M+K]+ 674.22446 249.3
[M+H-H2O]+ 618.25856 237.8
[M+HCOO]- 680.25950 270.6
[M+CH3COO]- 694.27515 259.7
[M+Na-2H]- 656.23597 251.8
[M]+ 635.26075 252.4
[M]- 635.26185 252.4
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

No patent data available for this compound.