CID 2501755

790245-61-3

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

11
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 171.9
[M+Na]+ 335.08248 182.6
[M-H]- 311.08598 181.8
[M+NH4]+ 330.12708 192.4
[M+K]+ 351.05642 179.6
[M+H-H2O]+ 295.09052 167.6
[M+HCOO]- 357.09146 191.4
[M+CH3COO]- 371.10711 185.1
[M+Na-2H]- 333.06793 171.7
[M]+ 312.09271 178.6
[M]- 312.09381 178.6
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