CID 89760784

1450933-44-4

Structural Information

Molecular Formula
C52H37N
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C
InChI
InChI=1S/C52H37N/c1-51(2)42-24-11-6-20-37(42)40-32-31-35(33-47(40)51)53(48-29-15-10-19-36(48)34-17-4-3-5-18-34)49-30-16-28-46-50(49)41-23-9-14-27-45(41)52(46)43-25-12-7-21-38(43)39-22-8-13-26-44(39)52/h3-33H,1-2H3
InChIKey
NYRQYDOTDXVFCO-UHFFFAOYSA-N
Compound name
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1121
Patents

675.2926 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.29988 269.9
[M+Na]+ 698.28182 291.4
[M+NH4]+ 693.32642 284.4
[M+K]+ 714.25576 276.0
[M-H]- 674.28532 285.4
[M+Na-2H]- 696.26727 281.0
[M]+ 675.29205 278.7
[M]- 675.29315 278.7
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