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

8
Patents

312.09326 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.100536 171.9
[M+Na]+ 335.082478 182.6
[M-H]- 311.085984 181.8
[M+NH4]+ 330.127083 192.4
[M+K]+ 351.056418 179.6
[M+H-H2O]+ 295.090520 167.6
[M+HCOO]- 357.091461 191.4
[M+CH3COO]- 371.107111 185.1
[M+Na-2H]- 333.067926 171.7
[M]+ 312.09271142 178.6
[M]- 312.09380858 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