CID 15957083

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[(tetrahydro-2h-pyran-4-yl)oxy]methyl]-

Structural Information

Molecular Formula

SMILES

CN(C(=O)C1=NC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)COC4CCOCC4)O

InChI

InChI=1S/C22H24FN3O4/c1-25(28)22(27)20-10-19-16(14-30-18-6-8-29-9-7-18)13-26(21(19)11-24-20)12-15-2-4-17(23)5-3-15/h2-5,10-11,13,18,28H,6-9,12,14H2,1H3

InChIKey

UZFMAOMGKOZJIW-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 6
Patents: 413.17508 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	414.18236	197.2
[M+Na]+	436.16430	202.6
[M-H]-	412.16780	204.3
[M+NH4]+	431.20890	205.2
[M+K]+	452.13824	199.5
[M+H-H2O]+	396.17234	185.5
[M+HCOO]-	458.17328	212.9
[M+CH3COO]-	472.18893	205.5
[M+Na-2H]-	434.14975	197.1
[M]+	413.17453	198.1
[M]-	413.17563	198.1

Literature stripe

Patent stripe