CID 801162

N-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)(tert-butoxy)formamide

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(C)(C)OC(=O)NN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)14-15-10(16)8-6-4-5-7-9(8)11(15)17/h4-7H,1-3H3,(H,14,18)
InChIKey
IOPZBVFVFPPDSC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,3-dioxoisoindol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

242
Patents

262.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.3
[M+Na]+ 285.08459 166.0
[M-H]- 261.08809 161.2
[M+NH4]+ 280.12919 175.7
[M+K]+ 301.05853 164.1
[M+H-H2O]+ 245.09263 151.5
[M+HCOO]- 307.09357 178.3
[M+CH3COO]- 321.10922 197.2
[M+Na-2H]- 283.07004 161.7
[M]+ 262.09482 160.1
[M]- 262.09592 160.1
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.