CID 160102308

2244700-02-3

Structural Information

Molecular Formula
C19H22N2O6
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H22N2O6/c1-19(2,3)26-18(25)20-10-6-7-12(11-20)17(24)27-21-15(22)13-8-4-5-9-14(13)16(21)23/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKey
WILLJCBWFCKAFV-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-(1,3-dioxoisoindol-2-yl) piperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15508 186.1
[M+Na]+ 397.13702 191.5
[M-H]- 373.14052 190.6
[M+NH4]+ 392.18162 198.0
[M+K]+ 413.11096 189.7
[M+H-H2O]+ 357.14506 178.4
[M+HCOO]- 419.14600 199.1
[M+CH3COO]- 433.16165 215.2
[M+Na-2H]- 395.12247 185.0
[M]+ 374.14725 187.2
[M]- 374.14835 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.