CID 165730266

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

Structural Information

Molecular Formula
C17H20N2O7
SMILES
CC(C)(C)OC(=O)NC(COC)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H20N2O7/c1-17(2,3)25-16(23)18-12(9-24-4)15(22)26-19-13(20)10-7-5-6-8-11(10)14(19)21/h5-8,12H,9H2,1-4H3,(H,18,23)
InChIKey
WIXMNRNBVXTSBW-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.12704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.134316 180.6
[M+Na]+ 387.116258 186.4
[M-H]- 363.119764 183.8
[M+NH4]+ 382.160863 194.2
[M+K]+ 403.090198 186.4
[M+H-H2O]+ 347.124300 174.1
[M+HCOO]- 409.125241 198.9
[M+CH3COO]- 423.140891 216.3
[M+Na-2H]- 385.101706 181.7
[M]+ 364.12649142 187.0
[M]- 364.12758858 187.0
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

No patent data available for this compound.