CID 2766552

4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine

Structural Information

Molecular Formula
C15H13Cl2N5
SMILES
CC1=NC(=CN1CC2=C(C=CC=C2Cl)Cl)C3=NC(=NC=C3)N
InChI
InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
InChIKey
CKSSZTMRRVJNNG-UHFFFAOYSA-N
Compound name
4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

333.0548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06208 176.0
[M+Na]+ 356.04402 187.9
[M-H]- 332.04752 180.0
[M+NH4]+ 351.08862 187.2
[M+K]+ 372.01796 179.4
[M+H-H2O]+ 316.05206 165.1
[M+HCOO]- 378.05300 186.8
[M+CH3COO]- 392.06865 186.3
[M+Na-2H]- 354.02947 177.3
[M]+ 333.05425 178.8
[M]- 333.05535 178.8
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

patents stripe