CID 516673

Chembl367308

Structural Information

Molecular Formula
C11H10Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)COC2=CN=C(N=C2N)N)Cl
InChI
InChI=1S/C11H10Cl2N4O/c12-7-2-1-3-8(13)6(7)5-18-9-4-16-11(15)17-10(9)14/h1-4H,5H2,(H4,14,15,16,17)
InChIKey
CUPZKSSPYUFLOD-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.02316 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03044 160.1
[M+Na]+ 307.01238 170.9
[M-H]- 283.01588 163.2
[M+NH4]+ 302.05698 173.9
[M+K]+ 322.98632 164.3
[M+H-H2O]+ 267.02042 152.6
[M+HCOO]- 329.02136 174.0
[M+CH3COO]- 343.03701 201.9
[M+Na-2H]- 304.99783 164.3
[M]+ 284.02261 162.0
[M]- 284.02371 162.0
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.