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

9
Patents

376.12704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.134316 183.8
[M+Na]+ 399.116258 189.6
[M-H]- 375.119764 189.1
[M+NH4]+ 394.160863 194.2
[M+K]+ 415.090198 189.6
[M+H-H2O]+ 359.124300 176.3
[M+HCOO]- 421.125241 196.4
[M+CH3COO]- 435.140891 215.0
[M+Na-2H]- 397.101706 184.1
[M]+ 376.12649142 186.6
[M]- 376.12758858 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

patents stripe