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]+ 220.06360 145.5
[M+Na]+ 242.04554 155.3
[M-H]- 218.04904 149.7
[M+NH4]+ 237.09014 161.9
[M+K]+ 258.01948 149.8
[M+H-H2O]+ 202.05358 137.3
[M+HCOO]- 264.05452 164.6
[M+CH3COO]- 278.07017 158.3
[M+Na-2H]- 240.03099 153.8
[M]+ 219.05577 146.6
[M]- 219.05687 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.