CID 2501755

Nct02

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
CC1=CN=C(S1)NC(=O)CC2=COC3=C2C=C4CCCC4=C3
InChI
InChI=1S/C17H16N2O2S/c1-10-8-18-17(22-10)19-16(20)7-13-9-21-15-6-12-4-2-3-11(12)5-14(13)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)
InChIKey
IELCYEUTXLYDOV-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

312.09326 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 169.8
[M+Na]+ 335.08248 181.3
[M+NH4]+ 330.12708 179.0
[M+K]+ 351.05642 178.3
[M-H]- 311.08598 175.1
[M+Na-2H]- 333.06793 174.2
[M]+ 312.09271 173.4
[M]- 312.09381 173.4
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

patents stripe