CID 54681512

141433-33-2

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CN1C2CCC1CC(C2)NC(=O)C3=C(C4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C18H21N3O3/c1-21-11-6-7-12(21)9-10(8-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-5,10-12H,6-9H2,1H3,(H,19,23)(H2,20,22,24)
InChIKey
QPDWXLFUGFTREK-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

327.1583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 175.2
[M+Na]+ 350.14752 181.6
[M-H]- 326.15102 176.8
[M+NH4]+ 345.19212 189.3
[M+K]+ 366.12146 175.6
[M+H-H2O]+ 310.15556 167.4
[M+HCOO]- 372.15650 187.7
[M+CH3COO]- 386.17215 183.9
[M+Na-2H]- 348.13297 176.8
[M]+ 327.15775 171.3
[M]- 327.15885 171.3
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