CID 3056384

73771-06-9

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC(CC1=CC=CC=C1)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15NO3/c1-12(11-13-7-3-2-4-8-13)21-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10,12H,11H2,1H3
InChIKey
QYHWWEYPZIUHQS-UHFFFAOYSA-N
Compound name
2-(1-phenylpropan-2-yloxy)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.7
[M+Na]+ 304.09442 172.0
[M-H]- 280.09792 170.2
[M+NH4]+ 299.13902 180.9
[M+K]+ 320.06836 167.9
[M+H-H2O]+ 264.10246 155.7
[M+HCOO]- 326.10340 184.8
[M+CH3COO]- 340.11905 200.3
[M+Na-2H]- 302.07987 166.2
[M]+ 281.10465 165.8
[M]- 281.10575 165.8
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.