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

228
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

literature stripe

Patent stripe

patents stripe