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 178.5
[M+Na]+ 385.10062 182.6
[M-H]- 361.10412 185.1
[M+NH4]+ 380.14522 185.8
[M+K]+ 401.07456 186.7
[M+H-H2O]+ 345.10866 167.2
[M+HCOO]- 407.10960 194.5
[M+CH3COO]- 421.12525 216.0
[M+Na-2H]- 383.08607 181.7
[M]+ 362.11085 191.7
[M]- 362.11195 191.7
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.