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 187.9
[M+Na]+ 463.96749 200.8
[M-H]- 439.97099 199.9
[M+NH4]+ 459.01209 203.7
[M+K]+ 479.94143 188.2
[M+H-H2O]+ 423.97553 187.3
[M+HCOO]- 485.97647 203.9
[M+CH3COO]- 499.99212 200.7
[M+Na-2H]- 461.95294 188.1
[M]+ 440.97772 210.2
[M]- 440.97882 210.2
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.