CID 470506

Chembl338824

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
C1=CC=C(C=C1)COC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H10ClN3O/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
InChIKey
BUISFZQPCMDWPP-UHFFFAOYSA-N
Compound name
6-chloro-2-phenylmethoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

235.05124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 148.9
[M+Na]+ 258.04046 158.5
[M-H]- 234.04396 152.6
[M+NH4]+ 253.08506 164.3
[M+K]+ 274.01440 153.2
[M+H-H2O]+ 218.04850 140.6
[M+HCOO]- 280.04944 167.5
[M+CH3COO]- 294.06509 161.2
[M+Na-2H]- 256.02591 156.1
[M]+ 235.05069 150.4
[M]- 235.05179 150.4
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.