CID 91668531

Olinone

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(=O)NCCCCN1C2=C(C3=CC=CC=C31)C(=O)NCC2
InChI
InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKey
RYVLOOXFFIFQEN-UHFFFAOYSA-N
Compound name
N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

233
Patents

299.1634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.1
[M+Na]+ 322.15262 182.0
[M+NH4]+ 317.19722 177.9
[M+K]+ 338.12656 177.0
[M-H]- 298.15612 171.9
[M+Na-2H]- 320.13807 173.9
[M]+ 299.16285 172.5
[M]- 299.16395 172.5
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