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]+ 301.15468 171.7
[M+Na]+ 323.13662 178.7
[M-H]- 299.14012 176.6
[M+NH4]+ 318.18122 188.6
[M+K]+ 339.11056 175.2
[M+H-H2O]+ 283.14466 163.6
[M+HCOO]- 345.14560 190.8
[M+CH3COO]- 359.16125 202.8
[M+Na-2H]- 321.12207 170.4
[M]+ 300.14685 173.6
[M]- 300.14795 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.