CID 3059516

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

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOC(=O)CC1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O3/c1-2-21-15(19)9-13-16(20)18-10-12(8-14(18)17-13)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKey
JJIIIIONMXNXNH-UHFFFAOYSA-N
Compound name
ethyl 2-(3-oxo-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 167.1
[M+Na]+ 309.12096 174.6
[M-H]- 285.12446 172.2
[M+NH4]+ 304.16556 184.6
[M+K]+ 325.09490 171.3
[M+H-H2O]+ 269.12900 159.2
[M+HCOO]- 331.12994 186.6
[M+CH3COO]- 345.14559 199.8
[M+Na-2H]- 307.10641 166.4
[M]+ 286.13119 168.7
[M]- 286.13229 168.7
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.