CID 5279816

Schembl12751535

Structural Information

Molecular Formula
C24H19FN4O3
SMILES
C1CN(CCC1=CC2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NOC=N5
InChI
InChI=1S/C24H19FN4O3/c25-19-7-6-17(23-27-14-32-28-23)21-20(19)18(13-26-21)22(30)24(31)29-10-8-16(9-11-29)12-15-4-2-1-3-5-15/h1-7,12-14,26H,8-11H2
InChIKey
SXYLVAJRIKGXDK-UHFFFAOYSA-N
Compound name
1-(4-benzylidenepiperidin-1-yl)-2-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.1441 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15138 200.5
[M+Na]+ 453.13332 207.3
[M-H]- 429.13682 207.6
[M+NH4]+ 448.17792 206.1
[M+K]+ 469.10726 200.5
[M+H-H2O]+ 413.14136 188.3
[M+HCOO]- 475.14230 212.6
[M+CH3COO]- 489.15795 207.8
[M+Na-2H]- 451.11877 196.7
[M]+ 430.14355 197.5
[M]- 430.14465 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.