CID 14724240

7749-49-7

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=CC(=NC(=N1)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN3O/c1-7-6-10(15-11(13)14-7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
InChIKey
SZVOYWHZVVUJBH-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.05124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 149.4
[M+Na]+ 258.04046 160.0
[M-H]- 234.04396 153.5
[M+NH4]+ 253.08506 165.1
[M+K]+ 274.01440 154.7
[M+H-H2O]+ 218.04850 141.3
[M+HCOO]- 280.04944 168.0
[M+CH3COO]- 294.06509 162.1
[M+Na-2H]- 256.02591 155.8
[M]+ 235.05069 151.3
[M]- 235.05179 151.3
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.