CID 506169

Genz-11918

Structural Information

Molecular Formula
C28H25N3O3
SMILES
COC(=O)C1=CC=CC2=C1C(C3=CC=CC=C23)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C28H25N3O3/c1-34-28(33)23-8-4-7-21-20-5-2-3-6-22(20)26(25(21)23)30-13-15-31(16-14-30)27(32)19-9-10-24-18(17-19)11-12-29-24/h2-12,17,26,29H,13-16H2,1H3
InChIKey
AHPDWCPVDFKHEC-UHFFFAOYSA-N
Compound name
methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.1896 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19688 208.9
[M+Na]+ 474.17882 215.0
[M-H]- 450.18232 216.4
[M+NH4]+ 469.22342 218.5
[M+K]+ 490.15276 207.5
[M+H-H2O]+ 434.18686 198.1
[M+HCOO]- 496.18780 220.5
[M+CH3COO]- 510.20345 215.9
[M+Na-2H]- 472.16427 205.9
[M]+ 451.18905 207.9
[M]- 451.19015 207.9
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.