CID 21398420

8a-phenyl-octahydropyrrolo[1,2-a]pyrimidin-6-one

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CNC2(CCC(=O)N2C1)C3=CC=CC=C3
InChI
InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2
InChIKey
VXKUXARBYXJFRT-UHFFFAOYSA-N
Compound name
8a-phenyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 151.3
[M+Na]+ 239.11549 162.8
[M+NH4]+ 234.16009 161.4
[M+K]+ 255.08943 155.5
[M-H]- 215.11899 153.9
[M+Na-2H]- 237.10094 158.2
[M]+ 216.12572 153.6
[M]- 216.12682 153.6
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

patents stripe