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

literature stripe

Patent stripe

patents stripe