CID 165731913

2240185-65-1

Structural Information

Molecular Formula
C18H20N2O7
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O7/c1-18(2,3)26-17(24)19-8-9-25-13(10-19)16(23)27-20-14(21)11-6-4-5-7-12(11)15(20)22/h4-7,13H,8-10H2,1-3H3
InChIKey
LRZVTFGJFLNTDX-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) morpholine-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 183.8
[M+Na]+ 399.11626 189.6
[M-H]- 375.11976 189.1
[M+NH4]+ 394.16086 194.2
[M+K]+ 415.09020 189.6
[M+H-H2O]+ 359.12430 176.3
[M+HCOO]- 421.12524 196.4
[M+CH3COO]- 435.14089 215.0
[M+Na-2H]- 397.10171 184.1
[M]+ 376.12649 186.6
[M]- 376.12759 186.6
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.