CID 3059517

Ethyl 2,5,6,7-tetrahydro-3-oxo-6-phenyl-3h-pyrrolo(1,2-a)imidazole-2-propanoate

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCOC(=O)CCC1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3/c1-2-22-16(20)9-8-14-17(21)19-11-13(10-15(19)18-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKey
MDQAVQSJBGCOQP-UHFFFAOYSA-N
Compound name
ethyl 3-(3-oxo-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 171.7
[M+Na]+ 323.136618 178.7
[M-H]- 299.140124 176.6
[M+NH4]+ 318.181223 188.6
[M+K]+ 339.110558 175.2
[M+H-H2O]+ 283.144660 163.6
[M+HCOO]- 345.145601 190.8
[M+CH3COO]- 359.161251 202.8
[M+Na-2H]- 321.122066 170.4
[M]+ 300.14685142 173.6
[M]- 300.14794858 173.6
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.