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]+ 335.123776 174.5
[M+Na]+ 357.105718 181.4
[M-H]- 333.109224 177.9
[M+NH4]+ 352.150323 189.6
[M+K]+ 373.079658 180.2
[M+H-H2O]+ 317.113760 168.1
[M+HCOO]- 379.114701 194.0
[M+CH3COO]- 393.130351 210.1
[M+Na-2H]- 355.091166 176.8
[M]+ 334.11595142 179.8
[M]- 334.11704858 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.