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]+ 291.13393 166.7
[M+Na]+ 313.11587 174.4
[M-H]- 289.11937 170.1
[M+NH4]+ 308.16047 183.9
[M+K]+ 329.08981 172.1
[M+H-H2O]+ 273.12391 160.5
[M+HCOO]- 335.12485 187.0
[M+CH3COO]- 349.14050 203.2
[M+Na-2H]- 311.10132 170.0
[M]+ 290.12610 170.1
[M]- 290.12720 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