CID 146479598

4-tert-butyl 3-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl) morpholine-3,4-dicarboxylate

Structural Information

Molecular Formula
C18H20N2O7
SMILES
CC(C)(C)OC(=O)N1CCOCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O7/c1-18(2,3)26-17(24)19-8-9-25-10-13(19)16(23)27-20-14(21)11-6-4-5-7-12(11)15(20)22/h4-7,13H,8-10H2,1-3H3
InChIKey
VLFIQVBWPLAPTL-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 3-O-(1,3-dioxoisoindol-2-yl) morpholine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

376.12704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13432 182.8
[M+Na]+ 399.11626 191.2
[M+NH4]+ 394.16086 186.1
[M+K]+ 415.09020 191.6
[M-H]- 375.11976 182.6
[M+Na-2H]- 397.10171 183.2
[M]+ 376.12649 183.4
[M]- 376.12759 183.4
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