CID 60726874

6-chloro-n-(2,4-dimethoxyphenyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
COC1=CC(=C(C=C1)NC2=CC(=NC=N2)Cl)OC
InChI
InChI=1S/C12H12ClN3O2/c1-17-8-3-4-9(10(5-8)18-2)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKey
GCRMTOYTRWLDCI-UHFFFAOYSA-N
Compound name
6-chloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

265.0618 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.069076 156.1
[M+Na]+ 288.051018 166.1
[M-H]- 264.054524 160.5
[M+NH4]+ 283.095623 170.8
[M+K]+ 304.024958 161.6
[M+H-H2O]+ 248.059060 147.5
[M+HCOO]- 310.060001 175.2
[M+CH3COO]- 324.075651 197.5
[M+Na-2H]- 286.036466 163.1
[M]+ 265.06125142 160.8
[M]- 265.06234858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe