CID 454657

Fluorene 9,9bis(pyridme) deriv.

Structural Information

Molecular Formula
C27H32N2
SMILES
CN1CCC(=CC1)CC2(C3=CC=CC=C3C4=CC=CC=C42)CC5=CCN(CC5)C
InChI
InChI=1S/C27H32N2/c1-28-15-11-21(12-16-28)19-27(20-22-13-17-29(2)18-14-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-11,13H,12,14-20H2,1-2H3
InChIKey
IASHETHBPZGEKI-UHFFFAOYSA-N
Compound name
1-methyl-4-[[9-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]fluoren-9-yl]methyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26384 200.3
[M+Na]+ 407.24578 205.6
[M-H]- 383.24928 207.5
[M+NH4]+ 402.29038 214.2
[M+K]+ 423.21972 197.1
[M+H-H2O]+ 367.25382 187.7
[M+HCOO]- 429.25476 213.0
[M+CH3COO]- 443.27041 207.9
[M+Na-2H]- 405.23123 199.6
[M]+ 384.25601 195.8
[M]- 384.25711 195.8
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

No patent data available for this compound.