CID 9888211

Slv-310

Structural Information

Molecular Formula
C25H24FN3O2
SMILES
C1CN(CC=C1C2=CNC3=C2C=C(C=C3)F)CCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C25H24FN3O2/c26-18-7-8-23-21(15-18)22(16-27-23)17-9-13-28(14-10-17)11-3-4-12-29-24(30)19-5-1-2-6-20(19)25(29)31/h1-2,5-9,15-16,27H,3-4,10-14H2
InChIKey
NECJNLXOJRDELU-UHFFFAOYSA-N
Compound name
2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

417.18524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19252 202.6
[M+Na]+ 440.17446 211.0
[M-H]- 416.17796 208.0
[M+NH4]+ 435.21906 213.4
[M+K]+ 456.14840 201.8
[M+H-H2O]+ 400.18250 191.2
[M+HCOO]- 462.18344 216.5
[M+CH3COO]- 476.19909 210.5
[M+Na-2H]- 438.15991 199.0
[M]+ 417.18469 201.4
[M]- 417.18579 201.4
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