CID 129844494

2748161-90-0

Structural Information

Molecular Formula

C₂₂H₂₄FN₃O₂

SMILES

CC(C)(C)C(C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2/c1-22(2,3)19(20(24)27)25-21(28)17-13-26(18-7-5-4-6-16(17)18)12-14-8-10-15(23)11-9-14/h4-11,13,19H,12H2,1-3H3,(H2,24,27)(H,25,28)

InChIKey

QIFOZYUACLDTAJ-UHFFFAOYSA-N

Compound name

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-fluorophenyl)methyl]indole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.18524 Da
Monoisotopic Mass: 3.7
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]+	382.192516	192.9
[M+Na]+	404.174458	199.1
[M-H]-	380.177964	197.9
[M+NH4]+	399.219063	205.3
[M+K]+	420.148398	194.3
[M+H-H2O]+	364.182500	183.7
[M+HCOO]-	426.183441	211.7
[M+CH3COO]-	440.199091	225.6
[M+Na-2H]-	402.159906	193.1
[M]+	381.18469142	193.0
[M]-	381.18578858	193.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.