CID 504699

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

Structural Information

Molecular Formula
C11H10ClN3
SMILES
CC1=CC(=NC(=N1)Cl)NC2=CC=CC=C2
InChI
InChI=1S/C11H10ClN3/c1-8-7-10(15-11(12)13-8)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)
InChIKey
YSEHCMSEPMBOGK-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-N-phenylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.05632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.063596 145.5
[M+Na]+ 242.045538 155.3
[M-H]- 218.049044 149.7
[M+NH4]+ 237.090143 161.9
[M+K]+ 258.019478 149.8
[M+H-H2O]+ 202.053580 137.3
[M+HCOO]- 264.054521 164.6
[M+CH3COO]- 278.070171 158.3
[M+Na-2H]- 240.030986 153.8
[M]+ 219.05577142 146.6
[M]- 219.05686858 146.6
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.