CID 3059511

76696-74-7

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2O/c1-9-13(16)15-8-11(7-12(15)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey
WCJGWLKGVZBVIR-UHFFFAOYSA-N
Compound name
2-methyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 148.3
[M+Na]+ 237.09983 160.8
[M+NH4]+ 232.14443 157.2
[M+K]+ 253.07377 157.4
[M-H]- 213.10333 151.1
[M+Na-2H]- 235.08528 154.0
[M]+ 214.11006 150.7
[M]- 214.11116 150.7
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.