CID 165724666

2240185-68-4

Structural Information

Molecular Formula
C17H20N2O6
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H20N2O6/c1-16(2,3)24-15(23)18-17(4,5)14(22)25-19-12(20)10-8-6-7-9-11(10)13(19)21/h6-9H,1-5H3,(H,18,23)
InChIKey
SEOJLJFVKHYFST-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13214 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13942 178.3
[M+Na]+ 371.12136 185.0
[M-H]- 347.12486 181.8
[M+NH4]+ 366.16596 192.9
[M+K]+ 387.09530 184.4
[M+H-H2O]+ 331.12940 172.7
[M+HCOO]- 393.13034 195.8
[M+CH3COO]- 407.14599 213.5
[M+Na-2H]- 369.10681 181.6
[M]+ 348.13159 183.4
[M]- 348.13269 183.4
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.