CID 3072199

141234-42-6

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CCOC(=O)C1=CN=C2N(C(CN2C1=O)C3=CC=C(C=C3)C)C
InChI
InChI=1S/C17H19N3O3/c1-4-23-16(22)13-9-18-17-19(3)14(10-20(17)15(13)21)12-7-5-11(2)6-8-12/h5-9,14H,4,10H2,1-3H3
InChIKey
FQFAOXLFAQZEQZ-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-2-(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

313.14264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 173.8
[M+Na]+ 336.13186 183.9
[M-H]- 312.13536 178.3
[M+NH4]+ 331.17646 187.6
[M+K]+ 352.10580 179.4
[M+H-H2O]+ 296.13990 164.5
[M+HCOO]- 358.14084 192.1
[M+CH3COO]- 372.15649 207.7
[M+Na-2H]- 334.11731 174.7
[M]+ 313.14209 177.6
[M]- 313.14319 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.