CID 506173

Genz-12640

Structural Information

Molecular Formula
C28H28N4O
SMILES
CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C2N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C28H28N4O/c1-30(2)21-8-9-23-22-5-3-4-6-24(22)27(25(23)18-21)31-13-15-32(16-14-31)28(33)20-7-10-26-19(17-20)11-12-29-26/h3-12,17-18,27,29H,13-16H2,1-2H3
InChIKey
HONFQPLWEFMKME-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)-9H-fluoren-9-yl]piperazin-1-yl]-(1H-indol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.22632 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.23360 206.0
[M+Na]+ 459.21554 211.8
[M-H]- 435.21904 214.4
[M+NH4]+ 454.26014 216.7
[M+K]+ 475.18948 204.0
[M+H-H2O]+ 419.22358 194.6
[M+HCOO]- 481.22452 219.6
[M+CH3COO]- 495.24017 213.4
[M+Na-2H]- 457.20099 203.9
[M]+ 436.22577 204.2
[M]- 436.22687 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.