CID 132582108

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 2-{[(tert-butoxy)carbonyl]amino}propanoate

Structural Information

Molecular Formula
C16H18N2O6
SMILES
CC(C(=O)ON1C(=O)C2=CC=CC=C2C1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H18N2O6/c1-9(17-15(22)23-16(2,3)4)14(21)24-18-12(19)10-7-5-6-8-11(10)13(18)20/h5-9H,1-4H3,(H,17,22)
InChIKey
HFMJHLMEWOKPIA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1165 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 173.7
[M+Na]+ 357.10572 180.6
[M+NH4]+ 352.15032 177.1
[M+K]+ 373.07966 181.1
[M-H]- 333.10922 171.1
[M+Na-2H]- 355.09117 173.9
[M]+ 334.11595 173.3
[M]- 334.11705 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.