CID 3073272

147821-52-1

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CCOC(=O)C1=CN=C2N(CCN2C1=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C16H17N3O3/c1-3-22-15(21)13-10-17-16-18(8-9-19(16)14(13)20)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChIKey
BKXZWKZOGMNGIQ-UHFFFAOYSA-N
Compound name
ethyl 1-(4-methylphenyl)-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

299.12698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 169.1
[M+Na]+ 322.11620 178.7
[M-H]- 298.11970 173.4
[M+NH4]+ 317.16080 183.2
[M+K]+ 338.09014 174.5
[M+H-H2O]+ 282.12424 159.7
[M+HCOO]- 344.12518 187.8
[M+CH3COO]- 358.14083 203.5
[M+Na-2H]- 320.10165 171.3
[M]+ 299.12643 172.2
[M]- 299.12753 172.2
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.