CID 455106

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bh)-one

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1COC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
OUUOWZGDTCPVSV-UHFFFAOYSA-N
Compound name
9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

251.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.9
[M+Na]+ 274.08386 164.6
[M-H]- 250.08736 163.3
[M+NH4]+ 269.12846 176.8
[M+K]+ 290.05780 160.9
[M+H-H2O]+ 234.09190 148.2
[M+HCOO]- 296.09284 175.4
[M+CH3COO]- 310.10849 168.3
[M+Na-2H]- 272.06931 160.1
[M]+ 251.09409 155.4
[M]- 251.09519 155.4
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.