CID 448436

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C19H18Cl2N4O2
SMILES
COC1=CC(=CC(=C1)C2=NC(=C(C(=N2)N)CN)C3=C(C=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)
InChIKey
RCJFINNFYUNFGH-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

404.0807 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08798 195.4
[M+Na]+ 427.06992 206.4
[M-H]- 403.07342 201.8
[M+NH4]+ 422.11452 204.6
[M+K]+ 443.04386 198.8
[M+H-H2O]+ 387.07796 185.7
[M+HCOO]- 449.07890 207.9
[M+CH3COO]- 463.09455 204.9
[M+Na-2H]- 425.05537 195.7
[M]+ 404.08015 200.5
[M]- 404.08125 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe