CID 62342455

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.05632 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06360 144.9
[M+Na]+ 242.04554 153.8
[M-H]- 218.04904 150.1
[M+NH4]+ 237.09014 161.6
[M+K]+ 258.01948 149.7
[M+H-H2O]+ 202.05358 136.2
[M+HCOO]- 264.05452 164.4
[M+CH3COO]- 278.07017 157.9
[M+Na-2H]- 240.03099 153.3
[M]+ 219.05577 146.9
[M]- 219.05687 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