CID 3131856

2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)propanamide

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
CC(C(=O)NC1=NC=CS1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H11N3O3S/c1-8(11(18)16-14-15-6-7-21-14)17-12(19)9-4-2-3-5-10(9)13(17)20/h2-8H,1H3,(H,15,16,18)
InChIKey
ZAKXMNVHXFNBSF-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05212 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 167.8
[M+Na]+ 324.04134 176.9
[M-H]- 300.04484 174.2
[M+NH4]+ 319.08594 185.2
[M+K]+ 340.01528 173.4
[M+H-H2O]+ 284.04938 161.3
[M+HCOO]- 346.05032 184.9
[M+CH3COO]- 360.06597 202.3
[M+Na-2H]- 322.02679 166.6
[M]+ 301.05157 171.2
[M]- 301.05267 171.2
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.