CID 165725105

2248301-51-9

Structural Information

Molecular Formula
C16H18N2O6
SMILES
CC(C)(C)OC(=O)NCCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H18N2O6/c1-16(2,3)23-15(22)17-9-8-12(19)24-18-13(20)10-6-4-5-7-11(10)14(18)21/h4-7H,8-9H2,1-3H3,(H,17,22)
InChIKey
NOWJEGXNZHENKF-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 174.5
[M+Na]+ 357.10572 181.4
[M-H]- 333.10922 177.9
[M+NH4]+ 352.15032 189.6
[M+K]+ 373.07966 180.2
[M+H-H2O]+ 317.11376 168.1
[M+HCOO]- 379.11470 194.0
[M+CH3COO]- 393.13035 210.1
[M+Na-2H]- 355.09117 176.8
[M]+ 334.11595 179.8
[M]- 334.11705 179.8
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.