CID 58572145

4-amino-7-bromo-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H10BrN3O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C=CC(=C3C2=O)Br)N
InChI
InChI=1S/C13H10BrN3O4/c14-5-1-2-6(15)10-9(5)12(20)17(13(10)21)7-3-4-8(18)16-11(7)19/h1-2,7H,3-4,15H2,(H,16,18,19)
InChIKey
CBQIYJXBLDRSIJ-UHFFFAOYSA-N
Compound name
4-amino-7-bromo-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

350.98547 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99275 169.2
[M+Na]+ 373.97469 181.3
[M-H]- 349.97819 175.5
[M+NH4]+ 369.01929 185.2
[M+K]+ 389.94863 168.4
[M+H-H2O]+ 333.98273 167.9
[M+HCOO]- 395.98367 184.0
[M+CH3COO]- 409.99932 208.4
[M+Na-2H]- 371.96014 169.7
[M]+ 350.98492 183.7
[M]- 350.98602 183.7
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.