CID 135564921

Rafigrelide

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂N₃O

SMILES

CC1(C(=O)NC2=NC3=C(CN21)C(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C12H11Cl2N3O/c1-12(2)10(18)16-11-15-8-4-3-7(13)9(14)6(8)5-17(11)12/h3-4H,5H2,1-2H3,(H,15,16,18)

InChIKey

IGMDPBNGNRHCRW-UHFFFAOYSA-N

Compound name

6,7-dichloro-3,3-dimethyl-1,5-dihydroimidazo[2,1-b]quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 283.02792 Da
Monoisotopic Mass: 2.2
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]+	284.03520	160.1
[M+Na]+	306.01714	173.2
[M-H]-	282.02064	160.1
[M+NH4]+	301.06174	179.1
[M+K]+	321.99108	165.8
[M+H-H2O]+	266.02518	153.6
[M+HCOO]-	328.02612	166.2
[M+CH3COO]-	342.04177	171.4
[M+Na-2H]-	304.00259	163.5
[M]+	283.02737	161.9
[M]-	283.02847	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe