CID 165868497

2055988-81-1

Structural Information

Molecular Formula
C19H22N2O6
SMILES
CC(C)(C)OC(=O)N1CCCCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H22N2O6/c1-19(2,3)26-18(25)20-11-7-6-10-14(20)17(24)27-21-15(22)12-8-4-5-9-13(12)16(21)23/h4-5,8-9,14H,6-7,10-11H2,1-3H3
InChIKey
MCOHKSHKPMCZSB-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) piperidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.1478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.155076 186.1
[M+Na]+ 397.137018 191.5
[M-H]- 373.140524 190.6
[M+NH4]+ 392.181623 198.0
[M+K]+ 413.110958 189.7
[M+H-H2O]+ 357.145060 178.4
[M+HCOO]- 419.146001 199.1
[M+CH3COO]- 433.161651 215.2
[M+Na-2H]- 395.122466 185.0
[M]+ 374.14725142 187.2
[M]- 374.14834858 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

No literature data available for this compound.

Patent stripe

patents stripe