CID 208902

Ramelteon

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
InChI
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey
YLXDSYKOBKBWJQ-LBPRGKRZSA-N
Compound name
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

448
References

7273
Patents

259.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 162.2
[M+Na]+ 282.14645 168.0
[M-H]- 258.14995 167.6
[M+NH4]+ 277.19105 183.1
[M+K]+ 298.12039 165.4
[M+H-H2O]+ 242.15449 156.9
[M+HCOO]- 304.15543 182.3
[M+CH3COO]- 318.17108 198.9
[M+Na-2H]- 280.13190 164.3
[M]+ 259.15668 162.8
[M]- 259.15778 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