CID 506172

Genz-12639

Structural Information

Molecular Formula
C28H26N4O2
SMILES
CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C28H26N4O2/c1-18(33)30-21-7-8-23-22-4-2-3-5-24(22)27(25(23)17-21)31-12-14-32(15-13-31)28(34)20-6-9-26-19(16-20)10-11-29-26/h2-11,16-17,27,29H,12-15H2,1H3,(H,30,33)
InChIKey
XBKCBPFISIDICL-UHFFFAOYSA-N
Compound name
N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.20557 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 206.9
[M+Na]+ 473.19479 212.4
[M-H]- 449.19829 214.3
[M+NH4]+ 468.23939 216.4
[M+K]+ 489.16873 204.3
[M+H-H2O]+ 433.20283 196.1
[M+HCOO]- 495.20377 219.6
[M+CH3COO]- 509.21942 213.7
[M+Na-2H]- 471.18024 205.1
[M]+ 450.20502 204.2
[M]- 450.20612 204.2
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.