CID 56766774

1334492-80-6

Structural Information

Molecular Formula

C₇H₇ClN₄S

SMILES

CN(C)C1=NC2=C(S1)C(=NC=N2)Cl

InChI

InChI=1S/C7H7ClN4S/c1-12(2)7-11-6-4(13-7)5(8)9-3-10-6/h3H,1-2H3

InChIKey

AIKPGHHXUAQXPV-UHFFFAOYSA-N

Compound name

7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.008 Da
Monoisotopic Mass: 2.4
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]+	215.015276	139.6
[M+Na]+	236.997218	152.7
[M-H]-	213.000724	143.0
[M+NH4]+	232.041823	159.7
[M+K]+	252.971158	149.1
[M+H-H2O]+	197.005260	132.9
[M+HCOO]-	259.006201	154.7
[M+CH3COO]-	273.021851	153.9
[M+Na-2H]-	234.982666	144.9
[M]+	214.00745142	146.8
[M]-	214.00854858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe