CID 165729678

2899-58-3

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 177.5
[M+Na]+ 377.07439 184.0
[M-H]- 353.07789 183.9
[M+NH4]+ 372.11899 190.8
[M+K]+ 393.04833 181.5
[M+H-H2O]+ 337.08243 168.8
[M+HCOO]- 399.08337 199.2
[M+CH3COO]- 413.09902 212.5
[M+Na-2H]- 375.05984 179.7
[M]+ 354.08462 181.2
[M]- 354.08572 181.2
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.