CID 20359982

270929-28-7

Structural Information

Molecular Formula

C₇H₇Cl₂N₃

SMILES

C1CC1NC2=CC(=NC(=N2)Cl)Cl

InChI

InChI=1S/C7H7Cl2N3/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H,10,11,12)

InChIKey

QRTRXSONPAFUNI-UHFFFAOYSA-N

Compound name

2,6-dichloro-N-cyclopropylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.00171 Da
Monoisotopic Mass: 3.0
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]+	204.00899	139.4
[M+Na]+	225.99093	150.8
[M-H]-	201.99443	143.2
[M+NH4]+	221.03553	152.1
[M+K]+	241.96487	144.8
[M+H-H2O]+	185.99897	132.3
[M+HCOO]-	247.99991	153.8
[M+CH3COO]-	262.01556	151.7
[M+Na-2H]-	223.97638	146.2
[M]+	203.00116	142.9
[M]-	203.00226	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe