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]+ 300.134256 169.1
[M+Na]+ 322.116198 178.7
[M-H]- 298.119704 173.4
[M+NH4]+ 317.160803 183.2
[M+K]+ 338.090138 174.5
[M+H-H2O]+ 282.124240 159.7
[M+HCOO]- 344.125181 187.8
[M+CH3COO]- 358.140831 203.5
[M+Na-2H]- 320.101646 171.3
[M]+ 299.12643142 172.2
[M]- 299.12752858 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.