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

46
Patents

195.05632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 139.0
[M+Na]+ 218.04554 152.4
[M-H]- 194.04904 140.4
[M+NH4]+ 213.09014 159.0
[M+K]+ 234.01948 147.5
[M+H-H2O]+ 178.05358 131.9
[M+HCOO]- 240.05452 156.9
[M+CH3COO]- 254.07017 153.2
[M+Na-2H]- 216.03099 145.8
[M]+ 195.05577 144.3
[M]- 195.05687 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