CID 854037

(3s-cis)-(+)-tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6h)-one

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 163.8
[M+Na]+ 302.11514 171.4
[M-H]- 278.11864 173.8
[M+NH4]+ 297.15974 183.0
[M+K]+ 318.08908 167.8
[M+H-H2O]+ 262.12318 156.1
[M+HCOO]- 324.12412 183.7
[M+CH3COO]- 338.13977 176.1
[M+Na-2H]- 300.10059 166.3
[M]+ 279.12537 162.1
[M]- 279.12647 162.1
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.