CID 978790

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetamide

Structural Information

Molecular Formula
C19H12BrN3O3S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H12BrN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24)
InChIKey
PVUDQIFRUJYAQI-UHFFFAOYSA-N
Compound name
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

440.97827 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.98555 188.3
[M+Na]+ 463.96749 191.3
[M+NH4]+ 459.01209 191.6
[M+K]+ 479.94143 192.2
[M-H]- 439.97099 190.8
[M+Na-2H]- 461.95294 191.2
[M]+ 440.97772 188.5
[M]- 440.97882 188.5
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.