CID 3073851

153482-89-4

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1CC(=O)N2[C@H]1NC(=O)[C@H]2CC3=CC=CC=C3
InChI
InChI=1S/C13H14N2O2/c16-12-7-6-11-14-13(17)10(15(11)12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)/t10-,11-/m1/s1
InChIKey
OBRJNCVNOYGTEH-GHMZBOCLSA-N
Compound name
(3R,7aR)-3-benzyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 152.2
[M+Na]+ 253.09475 160.1
[M-H]- 229.09825 155.9
[M+NH4]+ 248.13935 171.3
[M+K]+ 269.06869 155.6
[M+H-H2O]+ 213.10279 145.0
[M+HCOO]- 275.10373 170.6
[M+CH3COO]- 289.11938 164.0
[M+Na-2H]- 251.08020 152.6
[M]+ 230.10498 148.9
[M]- 230.10608 148.9
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.