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]+ 361.13942 182.7
[M+Na]+ 383.12136 186.6
[M-H]- 359.12486 188.5
[M+NH4]+ 378.16596 191.5
[M+K]+ 399.09530 188.8
[M+H-H2O]+ 343.12940 171.3
[M+HCOO]- 405.13034 199.1
[M+CH3COO]- 419.14599 216.4
[M+Na-2H]- 381.10681 184.2
[M]+ 360.13159 194.3
[M]- 360.13269 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