CID 447767

Genz-10850

Structural Information

Molecular Formula
C26H23N3O
SMILES
C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
InChIKey
YYMZSGIXLQPFAC-UHFFFAOYSA-N
Compound name
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

21
Patents

393.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19138 194.6
[M+Na]+ 416.17332 201.6
[M-H]- 392.17682 201.8
[M+NH4]+ 411.21792 206.7
[M+K]+ 432.14726 192.6
[M+H-H2O]+ 376.18136 183.6
[M+HCOO]- 438.18230 207.6
[M+CH3COO]- 452.19795 202.6
[M+Na-2H]- 414.15877 193.8
[M]+ 393.18355 191.2
[M]- 393.18465 191.2
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

patents stripe