CID 165730250

2248289-77-0

Structural Information

Molecular Formula
C17H18N2O7
SMILES
CC(C)(C)OC(=O)NC1(COC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N2O7/c1-16(2,3)25-15(23)18-17(8-24-9-17)14(22)26-19-12(20)10-6-4-5-7-11(10)13(19)21/h4-7H,8-9H2,1-3H3,(H,18,23)
InChIKey
ZYGBSHXSEZUBMT-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1114 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11868 184.1
[M+Na]+ 385.10062 186.8
[M+NH4]+ 380.14522 184.8
[M+K]+ 401.07456 187.1
[M-H]- 361.10412 181.2
[M+Na-2H]- 383.08607 183.4
[M]+ 362.11085 182.1
[M]- 362.11195 182.1
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

No patent data available for this compound.