CID 11483141

Tert-butyl n-[2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)ethyl]carbamate

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(C)(C)OC(=O)NCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)16-8-9-17-12(18)10-6-4-5-7-11(10)13(17)19/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKey
ZBUIOQQRBIZZOM-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

290.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 166.7
[M+Na]+ 313.115868 174.4
[M-H]- 289.119374 170.1
[M+NH4]+ 308.160473 183.9
[M+K]+ 329.089808 172.1
[M+H-H2O]+ 273.123910 160.5
[M+HCOO]- 335.124851 187.0
[M+CH3COO]- 349.140501 203.2
[M+Na-2H]- 311.101316 170.0
[M]+ 290.12610142 170.1
[M]- 290.12719858 170.1
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

patents stripe