CID 854037

161970-71-4

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1C[C@@]2(N(C1=O)[C@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H17NO2/c20-17-11-12-18(15-9-5-2-6-10-15)19(17)16(13-21-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,18+/m1/s1
InChIKey
DKQMLBIEOBOMDP-AEFFLSMTSA-N
Compound name
(3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.4
[M+Na]+ 302.11514 177.8
[M+NH4]+ 297.15974 175.2
[M+K]+ 318.08908 171.8
[M-H]- 278.11864 171.3
[M+Na-2H]- 300.10059 173.2
[M]+ 279.12537 168.5
[M]- 279.12647 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.