CID 506181

Genz-13349

Structural Information

Molecular Formula
C27H25N3O2
SMILES
COC1=CC=CC2=C1C3=CC=CC=C3C2N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C27H25N3O2/c1-32-24-8-4-7-22-25(24)20-5-2-3-6-21(20)26(22)29-13-15-30(16-14-29)27(31)19-9-10-23-18(17-19)11-12-28-23/h2-12,17,26,28H,13-16H2,1H3
InChIKey
ZDEGTYBBOHHNJJ-UHFFFAOYSA-N
Compound name
1H-indol-5-yl-[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20195 202.8
[M+Na]+ 446.18389 209.8
[M-H]- 422.18739 210.2
[M+NH4]+ 441.22849 213.8
[M+K]+ 462.15783 201.5
[M+H-H2O]+ 406.19193 191.7
[M+HCOO]- 468.19287 215.5
[M+CH3COO]- 482.20852 210.4
[M+Na-2H]- 444.16934 200.9
[M]+ 423.19412 201.4
[M]- 423.19522 201.4
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.