CID 3011539

5-[2-(2,6-dichlorophenyl)ethoxy]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C12H12Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)CCOC2=CN=C(N=C2N)N)Cl
InChI
InChI=1S/C12H12Cl2N4O/c13-8-2-1-3-9(14)7(8)4-5-19-10-6-17-12(16)18-11(10)15/h1-3,6H,4-5H2,(H4,15,16,17,18)
InChIKey
YVAGNBMYZGFWPN-UHFFFAOYSA-N
Compound name
5-[2-(2,6-dichlorophenyl)ethoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04610 164.5
[M+Na]+ 321.02804 174.9
[M-H]- 297.03154 167.4
[M+NH4]+ 316.07264 177.8
[M+K]+ 337.00198 168.1
[M+H-H2O]+ 281.03608 156.8
[M+HCOO]- 343.03702 178.0
[M+CH3COO]- 357.05267 204.8
[M+Na-2H]- 319.01349 168.2
[M]+ 298.03827 166.7
[M]- 298.03937 166.7
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

No patent data available for this compound.