CID 693330

2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC1=CC(=NC2=NC(=CN12)CCl)C
InChI
InChI=1S/C9H10ClN3/c1-6-3-7(2)13-5-8(4-10)12-9(13)11-6/h3,5H,4H2,1-2H3
InChIKey
CMDAULOGOZCZQT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

195.05632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 139.0
[M+Na]+ 218.045538 152.4
[M-H]- 194.049044 140.4
[M+NH4]+ 213.090143 159.0
[M+K]+ 234.019478 147.5
[M+H-H2O]+ 178.053580 131.9
[M+HCOO]- 240.054521 156.9
[M+CH3COO]- 254.070171 153.2
[M+Na-2H]- 216.030986 145.8
[M]+ 195.05577142 144.3
[M]- 195.05686858 144.3
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