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

293
Patents

299.1634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 170.6
[M+Na]+ 322.152618 177.7
[M-H]- 298.156124 171.6
[M+NH4]+ 317.197223 186.1
[M+K]+ 338.126558 172.0
[M+H-H2O]+ 282.160660 162.5
[M+HCOO]- 344.161601 188.0
[M+CH3COO]- 358.177251 204.8
[M+Na-2H]- 320.138066 173.9
[M]+ 299.16285142 170.5
[M]- 299.16394858 170.5
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