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

15
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

literature stripe

Patent stripe

patents stripe