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

1
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

patents stripe