CID 165726190

2170793-65-2

Structural Information

Molecular Formula
C17H18N2O6
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N2O6/c1-17(2,3)24-16(23)18-8-10(9-18)15(22)25-19-13(20)11-6-4-5-7-12(11)14(19)21/h4-7,10H,8-9H2,1-3H3
InChIKey
INBHUHBXLFCELZ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-(1,3-dioxoisoindol-2-yl) azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 180.5
[M+Na]+ 369.10572 184.7
[M+NH4]+ 364.15032 180.3
[M+K]+ 385.07966 186.0
[M-H]- 345.10922 176.0
[M+Na-2H]- 367.09117 178.8
[M]+ 346.11595 178.1
[M]- 346.11705 178.1
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