CID 6452216

50516-42-2

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1C(O1)COC2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C17H15NO3/c19-16-14-8-4-5-9-15(14)17(21-11-13-10-20-13)18(16)12-6-2-1-3-7-12/h1-9,13,17H,10-11H2
InChIKey
WQQWREQEWITCBP-UHFFFAOYSA-N
Compound name
3-(oxiran-2-ylmethoxy)-2-phenyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 163.4
[M+Na]+ 304.094418 173.8
[M-H]- 280.097924 174.0
[M+NH4]+ 299.139023 174.6
[M+K]+ 320.068358 170.0
[M+H-H2O]+ 264.102460 155.4
[M+HCOO]- 326.103401 184.6
[M+CH3COO]- 340.119051 175.7
[M+Na-2H]- 302.079866 167.8
[M]+ 281.10465142 168.3
[M]- 281.10574858 168.3
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.