CID 9820874

329016-45-7

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CCCNCCOC1=C(C=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3)F
InChI
InChI=1S/C20H24FN3O3/c1-2-8-22-9-10-27-18-7-6-13(11-15(18)21)24-20(26)14-12-23-16-4-3-5-17(25)19(14)16/h6-7,11-12,22-23H,2-5,8-10H2,1H3,(H,24,26)
InChIKey
YZHJISPIBWKWGY-UHFFFAOYSA-N
Compound name
N-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

31
Patents

373.18018 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 189.5
[M+Na]+ 396.16940 197.5
[M+NH4]+ 391.21400 194.4
[M+K]+ 412.14334 193.2
[M-H]- 372.17290 190.7
[M+Na-2H]- 394.15485 192.0
[M]+ 373.17963 190.4
[M]- 373.18073 190.4
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