CID 3072200

Imidazo(1,2-a)pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-5-oxo-1-phenyl-, ethyl ester

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCOC(=O)C1=CN=C2N(CCN2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H15N3O3/c1-2-21-14(20)12-10-16-15-17(8-9-18(15)13(12)19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKey
FANAEEVKOOJGRZ-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.118606 164.3
[M+Na]+ 308.100548 173.5
[M-H]- 284.104054 168.4
[M+NH4]+ 303.145153 178.6
[M+K]+ 324.074488 169.5
[M+H-H2O]+ 268.108590 154.8
[M+HCOO]- 330.109531 183.4
[M+CH3COO]- 344.125181 199.4
[M+Na-2H]- 306.085996 167.7
[M]+ 285.11078142 166.6
[M]- 285.11187858 166.6
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.