CID 3073104

145970-15-6

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CN1C2CCC1CC(C2)NC(=O)C3=CNC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKey
ZPEDRMCLQWINAG-UHFFFAOYSA-N
Compound name
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

311.1634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.170676 171.9
[M+Na]+ 334.152618 178.0
[M-H]- 310.156124 174.4
[M+NH4]+ 329.197223 187.1
[M+K]+ 350.126558 172.0
[M+H-H2O]+ 294.160660 163.5
[M+HCOO]- 356.161601 185.8
[M+CH3COO]- 370.177251 181.0
[M+Na-2H]- 332.138066 174.3
[M]+ 311.16285142 167.8
[M]- 311.16394858 167.8
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