CID 23897

Molindone

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C
InChI
InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
InChIKey
KLPWJLBORRMFGK-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

183
References

23735
Patents

276.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.1
[M+Na]+ 299.17300 179.0
[M+NH4]+ 294.21760 175.6
[M+K]+ 315.14694 174.4
[M-H]- 275.17650 171.5
[M+Na-2H]- 297.15845 170.2
[M]+ 276.18323 170.4
[M]- 276.18433 170.4
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