CID 506180

Genz-13348

Structural Information

Molecular Formula
C27H26N4O
SMILES
CNC1=CC2=C(C=C1)C3=CC=CC=C3C2N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C27H26N4O/c1-28-20-7-8-22-21-4-2-3-5-23(21)26(24(22)17-20)30-12-14-31(15-13-30)27(32)19-6-9-25-18(16-19)10-11-29-25/h2-11,16-17,26,28-29H,12-15H2,1H3
InChIKey
MYPIPZRBSNEDEP-UHFFFAOYSA-N
Compound name
1H-indol-5-yl-[4-[2-(methylamino)-9H-fluoren-9-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.21066 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21794 200.4
[M+Na]+ 445.19988 206.9
[M-H]- 421.20338 207.8
[M+NH4]+ 440.24448 211.3
[M+K]+ 461.17382 197.9
[M+H-H2O]+ 405.20792 189.5
[M+HCOO]- 467.20886 214.2
[M+CH3COO]- 481.22451 207.9
[M+Na-2H]- 443.18533 199.8
[M]+ 422.21011 197.4
[M]- 422.21121 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.