CID 165725549

En300-6522163

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]+ 407.14488 189.8
[M+Na]+ 429.12682 194.4
[M-H]- 405.13032 192.7
[M+NH4]+ 424.17142 201.4
[M+K]+ 445.10076 195.0
[M+H-H2O]+ 389.13486 183.2
[M+HCOO]- 451.13580 206.8
[M+CH3COO]- 465.15145 223.9
[M+Na-2H]- 427.11227 189.3
[M]+ 406.13705 197.0
[M]- 406.13815 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.