CID 11436336

145783-15-9

Structural Information

Molecular Formula

C₇H₉Cl₂N₃S

SMILES

CCCSC1=NC(=C(C(=N1)Cl)N)Cl

InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

InChIKey

CJJLJBFJNXMANZ-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 236.98943 Da
Monoisotopic Mass: 3.2
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]+	237.99671	148.5
[M+Na]+	259.97865	162.5
[M+NH4]+	255.02325	157.1
[M+K]+	275.95259	152.9
[M-H]-	235.98215	150.4
[M+Na-2H]-	257.96410	154.2
[M]+	236.98888	152.0
[M]-	236.98998	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe