CID 739704

5-bromo-2-(morpholinomethyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C13H13BrN2O3
SMILES
C1COCCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C13H13BrN2O3/c14-9-1-2-10-11(7-9)13(18)16(12(10)17)8-15-3-5-19-6-4-15/h1-2,7H,3-6,8H2
InChIKey
OCCKSHXBVJBZJW-UHFFFAOYSA-N
Compound name
5-bromo-2-(morpholin-4-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.01096 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01824 166.0
[M+Na]+ 347.00018 177.1
[M-H]- 323.00368 173.9
[M+NH4]+ 342.04478 182.9
[M+K]+ 362.97412 167.0
[M+H-H2O]+ 307.00822 164.9
[M+HCOO]- 369.00916 180.9
[M+CH3COO]- 383.02481 179.1
[M+Na-2H]- 344.98563 169.6
[M]+ 324.01041 183.4
[M]- 324.01151 183.4
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

No patent data available for this compound.