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 173.9
[M+Na]+ 357.10572 180.5
[M-H]- 333.10922 177.4
[M+NH4]+ 352.15032 188.9
[M+K]+ 373.07966 180.0
[M+H-H2O]+ 317.11376 167.8
[M+HCOO]- 379.11470 192.4
[M+CH3COO]- 393.13035 211.1
[M+Na-2H]- 355.09117 175.2
[M]+ 334.11595 178.6
[M]- 334.11705 178.6
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.