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

37
Patents

336.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.1
[M+Na]+ 359.13662 186.5
[M-H]- 335.14012 187.9
[M+NH4]+ 354.18122 191.7
[M+K]+ 375.11056 182.0
[M+H-H2O]+ 319.14466 169.8
[M+HCOO]- 381.14560 195.7
[M+CH3COO]- 395.16125 189.8
[M+Na-2H]- 357.12207 180.8
[M]+ 336.14685 178.2
[M]- 336.14795 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