CID 165729678

1,3-dioxoisoindolin-2-yl ((benzyloxy)carbonyl)glycinate

Structural Information

Molecular Formula
C18H14N2O6
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H14N2O6/c21-15(10-19-18(24)25-11-12-6-2-1-3-7-12)26-20-16(22)13-8-4-5-9-14(13)17(20)23/h1-9H,10-11H2,(H,19,24)
InChIKey
SFUGPZNJDDQNTB-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08517 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09245 179.5
[M+Na]+ 377.07439 189.6
[M+NH4]+ 372.11899 184.1
[M+K]+ 393.04833 186.9
[M-H]- 353.07789 180.6
[M+Na-2H]- 375.05984 183.6
[M]+ 354.08462 180.7
[M]- 354.08572 180.7
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.