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]+ 335.123776 173.9
[M+Na]+ 357.105718 180.5
[M-H]- 333.109224 177.4
[M+NH4]+ 352.150323 188.9
[M+K]+ 373.079658 180.0
[M+H-H2O]+ 317.113760 167.8
[M+HCOO]- 379.114701 192.4
[M+CH3COO]- 393.130351 211.1
[M+Na-2H]- 355.091166 175.2
[M]+ 334.11595142 178.6
[M]- 334.11704858 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.