CID 238753

6-chloro-n-methyl-n-phenylpyrimidin-4-amine

Structural Information

Molecular Formula
C11H10ClN3
SMILES
CN(C1=CC=CC=C1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C11H10ClN3/c1-15(9-5-3-2-4-6-9)11-7-10(12)13-8-14-11/h2-8H,1H3
InChIKey
HUUWJLRTQFKVSL-UHFFFAOYSA-N
Compound name
6-chloro-N-methyl-N-phenylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

219.05632 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.063596 144.9
[M+Na]+ 242.045538 153.8
[M-H]- 218.049044 150.1
[M+NH4]+ 237.090143 161.6
[M+K]+ 258.019478 149.7
[M+H-H2O]+ 202.053580 136.2
[M+HCOO]- 264.054521 164.4
[M+CH3COO]- 278.070171 157.9
[M+Na-2H]- 240.030986 153.3
[M]+ 219.05577142 146.9
[M]- 219.05686858 146.9
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

patents stripe