CID 146479691

1-(tert-butyl) 4-(1,3-dioxoisoindolin-2-yl) 4-methylpiperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2O6/c1-19(2,3)27-18(26)21-11-9-20(4,10-12-21)17(25)28-22-15(23)13-7-5-6-8-14(13)16(22)24/h5-8H,9-12H2,1-4H3
InChIKey
JIGBXRGVMNETMY-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-(1,3-dioxoisoindol-2-yl) 4-methylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

388.16342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 189.4
[M+Na]+ 411.15264 195.5
[M-H]- 387.15614 194.0
[M+NH4]+ 406.19724 202.8
[M+K]+ 427.12658 193.8
[M+H-H2O]+ 371.16068 182.3
[M+HCOO]- 433.16162 202.1
[M+CH3COO]- 447.17727 217.6
[M+Na-2H]- 409.13809 189.4
[M]+ 388.16287 191.3
[M]- 388.16397 191.3
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.