CID 3059515

76696-82-7

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCOC(=O)C1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-2-20-15(19)13-14(18)17-9-11(8-12(17)16-13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKey
VPLWKSMESAPKHQ-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.5
[M+Na]+ 295.10532 170.5
[M-H]- 271.10882 167.8
[M+NH4]+ 290.14992 180.6
[M+K]+ 311.07926 167.4
[M+H-H2O]+ 255.11336 154.8
[M+HCOO]- 317.11430 182.4
[M+CH3COO]- 331.12995 196.9
[M+Na-2H]- 293.09077 162.3
[M]+ 272.11555 163.8
[M]- 272.11665 163.8
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.