CID 3073273

147821-53-2

Structural Information

Molecular Formula
C15H14ClN3O3
SMILES
CCOC(=O)C1=CN=C2N(CCN2C1=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H14ClN3O3/c1-2-22-14(21)12-9-17-15-18(6-7-19(15)13(12)20)11-5-3-4-10(16)8-11/h3-5,8-9H,2,6-7H2,1H3
InChIKey
LMYJGBCVYPVKJQ-UHFFFAOYSA-N
Compound name
ethyl 1-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07236 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.079636 170.6
[M+Na]+ 342.061578 181.3
[M-H]- 318.065084 174.7
[M+NH4]+ 337.106183 184.6
[M+K]+ 358.035518 175.8
[M+H-H2O]+ 302.069620 161.5
[M+HCOO]- 364.070561 184.9
[M+CH3COO]- 378.086211 204.2
[M+Na-2H]- 340.047026 172.7
[M]+ 319.07181142 175.3
[M]- 319.07290858 175.3
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.