CID 162341517

2248340-09-0

Structural Information

Molecular Formula
C19H20N2O6
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C(=O)ON3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H20N2O6/c1-17(2,3)26-16(25)20-19-8-18(9-19,10-19)15(24)27-21-13(22)11-6-4-5-7-12(11)14(21)23/h4-7H,8-10H2,1-3H3,(H,20,25)
InChIKey
LJNWAZWGSMVRMW-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.13214 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13942 203.6
[M+Na]+ 395.12136 203.7
[M-H]- 371.12486 207.4
[M+NH4]+ 390.16596 203.3
[M+K]+ 411.09530 210.2
[M+H-H2O]+ 355.12940 187.9
[M+HCOO]- 417.13034 211.3
[M+CH3COO]- 431.14599 235.8
[M+Na-2H]- 393.10681 204.7
[M]+ 372.13159 230.2
[M]- 372.13269 230.2
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