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

17
Patents

265.0618 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 156.1
[M+Na]+ 288.05102 166.1
[M-H]- 264.05452 160.5
[M+NH4]+ 283.09562 170.8
[M+K]+ 304.02496 161.6
[M+H-H2O]+ 248.05906 147.5
[M+HCOO]- 310.06000 175.2
[M+CH3COO]- 324.07565 197.5
[M+Na-2H]- 286.03647 163.1
[M]+ 265.06125 160.8
[M]- 265.06235 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