CID 155937660

2242625-59-6

Structural Information

Molecular Formula
C16H18N2O6
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H18N2O6/c1-16(2,3)23-15(22)17(4)9-12(19)24-18-13(20)10-7-5-6-8-11(10)14(18)21/h5-8H,9H2,1-4H3
InChIKey
GECNNBRVSYRTLQ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 173.3
[M+Na]+ 357.10572 180.4
[M-H]- 333.10922 178.2
[M+NH4]+ 352.15032 189.1
[M+K]+ 373.07966 180.6
[M+H-H2O]+ 317.11376 167.0
[M+HCOO]- 379.11470 193.4
[M+CH3COO]- 393.13035 213.4
[M+Na-2H]- 355.09117 175.1
[M]+ 334.11595 179.9
[M]- 334.11705 179.9
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.