CID 516690

5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C12H12Cl2N4O
SMILES
CC1=C(C(=NC(=N1)N)N)OCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H12Cl2N4O/c1-6-10(11(15)18-12(16)17-6)19-5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H4,15,16,17,18)
InChIKey
NFAHRODTAPLKGP-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.03882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04610 165.5
[M+Na]+ 321.02804 176.8
[M-H]- 297.03154 168.8
[M+NH4]+ 316.07264 179.1
[M+K]+ 337.00198 170.0
[M+H-H2O]+ 281.03608 158.0
[M+HCOO]- 343.03702 179.0
[M+CH3COO]- 357.05267 206.1
[M+Na-2H]- 319.01349 168.3
[M]+ 298.03827 168.1
[M]- 298.03937 168.1
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

No patent data available for this compound.