CID 455113

2-methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC1CN2C(=O)C3=CC=CC=C3C2(O1)C4=CC=CC=C4
InChI
InChI=1S/C17H15NO2/c1-12-11-18-16(19)14-9-5-6-10-15(14)17(18,20-12)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKey
MRZJCUSMOAGLGY-UHFFFAOYSA-N
Compound name
2-methyl-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

0
Patents

265.1103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.5
[M+Na]+ 288.09952 169.7
[M-H]- 264.10302 168.1
[M+NH4]+ 283.14412 181.2
[M+K]+ 304.07346 165.8
[M+H-H2O]+ 248.10756 152.9
[M+HCOO]- 310.10850 179.7
[M+CH3COO]- 324.12415 172.8
[M+Na-2H]- 286.08497 163.6
[M]+ 265.10975 160.7
[M]- 265.11085 160.7
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.