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]+ 441.985546 187.9
[M+Na]+ 463.967488 200.8
[M-H]- 439.970994 199.9
[M+NH4]+ 459.012093 203.7
[M+K]+ 479.941428 188.2
[M+H-H2O]+ 423.975530 187.3
[M+HCOO]- 485.976471 203.9
[M+CH3COO]- 499.992121 200.7
[M+Na-2H]- 461.952936 188.1
[M]+ 440.97772142 210.2
[M]- 440.97881858 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.