CID 11724560

2-[(4-benzylmorpholin-2-yl)methyl]-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1COC(CN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H20N2O3/c23-19-17-8-4-5-9-18(17)20(24)22(19)14-16-13-21(10-11-25-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKey
YAQSVEHQDFSDCR-UHFFFAOYSA-N
Compound name
2-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

336.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 180.1
[M+Na]+ 359.136618 186.5
[M-H]- 335.140124 187.9
[M+NH4]+ 354.181223 191.7
[M+K]+ 375.110558 182.0
[M+H-H2O]+ 319.144660 169.8
[M+HCOO]- 381.145601 195.7
[M+CH3COO]- 395.161251 189.8
[M+Na-2H]- 357.122066 180.8
[M]+ 336.14685142 178.2
[M]- 336.14794858 178.2
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

patents stripe