CID 506175

Genz-12643

Structural Information

Molecular Formula
C26H20Cl3N3O
SMILES
C1CN(CCN1C2C3=C(C=CC(=C3)Cl)C4=C2C=C(C=C4Cl)Cl)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C26H20Cl3N3O/c27-17-2-3-19-20(12-17)25(21-13-18(28)14-22(29)24(19)21)31-7-9-32(10-8-31)26(33)16-1-4-23-15(11-16)5-6-30-23/h1-6,11-14,25,30H,7-10H2
InChIKey
TZHFHASDVJGAAZ-UHFFFAOYSA-N
Compound name
1H-indol-5-yl-[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.0672 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.07448 217.0
[M+Na]+ 518.05642 227.4
[M-H]- 494.05992 222.3
[M+NH4]+ 513.10102 227.3
[M+K]+ 534.03036 217.3
[M+H-H2O]+ 478.06446 206.3
[M+HCOO]- 540.06540 215.0
[M+CH3COO]- 554.08105 223.3
[M+Na-2H]- 516.04187 211.6
[M]+ 495.06665 219.3
[M]- 495.06775 219.3
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.