CID 165724469

2248384-20-3

Structural Information

Molecular Formula
C17H20N2O6
SMILES
CC(C)(C)OC(=O)N(C)CCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H20N2O6/c1-17(2,3)24-16(23)18(4)10-9-13(20)25-19-14(21)11-7-5-6-8-12(11)15(19)22/h5-8H,9-10H2,1-4H3
InChIKey
PXCBOVJAQLUVBO-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13214 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13942 178.1
[M+Na]+ 371.12136 184.6
[M-H]- 347.12486 182.7
[M+NH4]+ 366.16596 193.2
[M+K]+ 387.09530 184.7
[M+H-H2O]+ 331.12940 171.5
[M+HCOO]- 393.13034 197.7
[M+CH3COO]- 407.14599 216.3
[M+Na-2H]- 369.10681 179.3
[M]+ 348.13159 184.9
[M]- 348.13269 184.9
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.