CID 341213

84940-23-8

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCO3
InChI
InChI=1S/C17H15NO3/c1-20-13-8-6-12(7-9-13)17-15-5-3-2-4-14(15)16(19)18(17)10-11-21-17/h2-9H,10-11H2,1H3
InChIKey
QRFRXRXNZGPWIW-UHFFFAOYSA-N
Compound name
9b-(4-methoxyphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.4
[M+Na]+ 304.09442 172.3
[M-H]- 280.09792 171.0
[M+NH4]+ 299.13902 183.2
[M+K]+ 320.06836 169.1
[M+H-H2O]+ 264.10246 155.7
[M+HCOO]- 326.10340 182.7
[M+CH3COO]- 340.11905 175.5
[M+Na-2H]- 302.07987 166.6
[M]+ 281.10465 165.0
[M]- 281.10575 165.0
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.