CID 10220503

Tasimelteon

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKey
PTOIAAWZLUQTIO-GXFFZTMASA-N
Compound name
N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

66
References

1156
Patents

245.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.7
[M+Na]+ 268.13081 169.0
[M+NH4]+ 263.17541 165.9
[M+K]+ 284.10475 165.7
[M-H]- 244.13431 168.4
[M+Na-2H]- 266.11626 163.8
[M]+ 245.14104 162.8
[M]- 245.14214 162.8
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

patents stripe