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

1
Patents

388.16342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 189.2
[M+Na]+ 411.15264 193.2
[M-H]- 387.15614 194.7
[M+NH4]+ 406.19724 201.4
[M+K]+ 427.12658 191.5
[M+H-H2O]+ 371.16068 181.8
[M+HCOO]- 433.16162 204.2
[M+CH3COO]- 447.17727 220.7
[M+Na-2H]- 409.13809 188.4
[M]+ 388.16287 189.4
[M]- 388.16397 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