CID 146479581

2135459-00-4

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O6/c1-17(2,3)25-16(24)19-18(9-6-10-18)15(23)26-20-13(21)11-7-4-5-8-12(11)14(20)22/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,24)
InChIKey
DSWITNYSECTMLM-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

360.13214 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.139416 182.7
[M+Na]+ 383.121358 186.6
[M-H]- 359.124864 188.5
[M+NH4]+ 378.165963 191.5
[M+K]+ 399.095298 188.8
[M+H-H2O]+ 343.129400 171.3
[M+HCOO]- 405.130341 199.1
[M+CH3COO]- 419.145991 216.4
[M+Na-2H]- 381.106806 184.2
[M]+ 360.13159142 194.3
[M]- 360.13268858 194.3
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

patents stripe