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]+ 365.13432 180.6
[M+Na]+ 387.11626 186.4
[M-H]- 363.11976 183.8
[M+NH4]+ 382.16086 194.2
[M+K]+ 403.09020 186.4
[M+H-H2O]+ 347.12430 174.1
[M+HCOO]- 409.12524 198.9
[M+CH3COO]- 423.14089 216.3
[M+Na-2H]- 385.10171 181.7
[M]+ 364.12649 187.0
[M]- 364.12759 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.