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

2
Patents

334.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.123776 173.3
[M+Na]+ 357.105718 180.4
[M-H]- 333.109224 178.2
[M+NH4]+ 352.150323 189.1
[M+K]+ 373.079658 180.6
[M+H-H2O]+ 317.113760 167.0
[M+HCOO]- 379.114701 193.4
[M+CH3COO]- 393.130351 213.4
[M+Na-2H]- 355.091166 175.1
[M]+ 334.11595142 179.9
[M]- 334.11704858 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

patents stripe