CID 118753229

Chembl3527046

Structural Information

Molecular Formula

C₁₆H₁₉FN₄O

SMILES

C[C@@](C1=CC=C(C=C1)F)(C(=O)N2CCCC2)N3C=C(N=C3)N

InChI

InChI=1S/C16H19FN4O/c1-16(21-10-14(18)19-11-21,12-4-6-13(17)7-5-12)15(22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,18H2,1H3/t16-/m1/s1

InChIKey

HAMLHDLTXOXVBD-MRXNPFEDSA-N

Compound name

(2R)-2-(4-aminoimidazol-1-yl)-2-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 302.1543 Da
Monoisotopic Mass: 1.8
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]+	303.161576	169.8
[M+Na]+	325.143518	175.8
[M-H]-	301.147024	174.3
[M+NH4]+	320.188123	183.3
[M+K]+	341.117458	171.6
[M+H-H2O]+	285.151560	159.5
[M+HCOO]-	347.152501	186.8
[M+CH3COO]-	361.168151	203.7
[M+Na-2H]-	323.128966	169.2
[M]+	302.15375142	165.1
[M]-	302.15484858	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.