CID 165725549

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

Structural Information

Molecular Formula
C19H22N2O8
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OC)CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C19H22N2O8/c1-19(2,3)28-18(26)20-11(9-14(22)27-4)10-15(23)29-21-16(24)12-7-5-6-8-13(12)17(21)25/h5-8,11H,9-10H2,1-4H3,(H,20,26)/t11-/m1/s1
InChIKey
GFNUTTRLTRUWAH-LLVKDONJSA-N
Compound name
1-O-(1,3-dioxoisoindol-2-yl) 5-O-methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1376 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.144876 189.8
[M+Na]+ 429.126818 194.4
[M-H]- 405.130324 192.7
[M+NH4]+ 424.171423 201.4
[M+K]+ 445.100758 195.0
[M+H-H2O]+ 389.134860 183.2
[M+HCOO]- 451.135801 206.8
[M+CH3COO]- 465.151451 223.9
[M+Na-2H]- 427.112266 189.3
[M]+ 406.13705142 197.0
[M]- 406.13814858 197.0
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.