CID 11011427

60652-05-3

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC(=O)C1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-21-17(20)15-13-9-5-6-10-14(13)16(19)18(15)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKey
VESWDADWCCQTAU-UHFFFAOYSA-N
Compound name
methyl 2-benzyl-3-oxo-1H-isoindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.9
[M+Na]+ 304.09442 172.3
[M-H]- 280.09792 170.5
[M+NH4]+ 299.13902 181.2
[M+K]+ 320.06836 168.3
[M+H-H2O]+ 264.10246 156.0
[M+HCOO]- 326.10340 185.1
[M+CH3COO]- 340.11905 199.6
[M+Na-2H]- 302.07987 166.5
[M]+ 281.10465 166.0
[M]- 281.10575 166.0
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.