CID 163290716

2095863-57-1

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2O6/c1-20(2,3)27-19(26)21-13-10-8-12(9-11-13)18(25)28-22-16(23)14-6-4-5-7-15(14)17(22)24/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)
InChIKey
ODXSVNKEDTZOCV-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.16342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.170696 189.2
[M+Na]+ 411.152638 193.2
[M-H]- 387.156144 194.7
[M+NH4]+ 406.197243 201.4
[M+K]+ 427.126578 191.5
[M+H-H2O]+ 371.160680 181.8
[M+HCOO]- 433.161621 204.2
[M+CH3COO]- 447.177271 220.7
[M+Na-2H]- 409.138086 188.4
[M]+ 388.16287142 189.4
[M]- 388.16396858 189.4
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