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

11
Patents

346.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.123776 176.9
[M+Na]+ 369.105718 182.3
[M-H]- 345.109224 181.7
[M+NH4]+ 364.150323 183.6
[M+K]+ 385.079658 184.2
[M+H-H2O]+ 329.113760 164.6
[M+HCOO]- 391.114701 191.5
[M+CH3COO]- 405.130351 212.9
[M+Na-2H]- 367.091166 176.5
[M]+ 346.11595142 189.3
[M]- 346.11704858 189.3
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