CID 506356

1-(4-fluoro-1h-indol-3-yl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C21H19FN4O3
SMILES
CC1=NC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C21H19FN4O3/c1-13-5-6-14(11-23-13)20(28)25-7-9-26(10-8-25)21(29)19(27)15-12-24-17-4-2-3-16(22)18(15)17/h2-6,11-12,24H,7-10H2,1H3
InChIKey
YTXDEBGTWJGXCD-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1441 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15138 192.7
[M+Na]+ 417.13332 199.3
[M-H]- 393.13682 195.6
[M+NH4]+ 412.17792 199.6
[M+K]+ 433.10726 192.7
[M+H-H2O]+ 377.14136 180.7
[M+HCOO]- 439.14230 203.6
[M+CH3COO]- 453.15795 199.9
[M+Na-2H]- 415.11877 190.5
[M]+ 394.14355 189.2
[M]- 394.14465 189.2
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.