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]+ 320.07964 170.6
[M+Na]+ 342.06158 181.3
[M-H]- 318.06508 174.7
[M+NH4]+ 337.10618 184.6
[M+K]+ 358.03552 175.8
[M+H-H2O]+ 302.06962 161.5
[M+HCOO]- 364.07056 184.9
[M+CH3COO]- 378.08621 204.2
[M+Na-2H]- 340.04703 172.7
[M]+ 319.07181 175.3
[M]- 319.07291 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.