CID 54681514

147455-96-7

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3CC4CCC(C3)N4C)O
InChI
InChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27)
InChIKey
WGDQFZMBDVNRCW-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

383.2209 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 194.1
[M+Na]+ 406.21012 199.8
[M-H]- 382.21362 196.5
[M+NH4]+ 401.25472 206.7
[M+K]+ 422.18406 193.8
[M+H-H2O]+ 366.21816 185.3
[M+HCOO]- 428.21910 206.4
[M+CH3COO]- 442.23475 224.1
[M+Na-2H]- 404.19557 193.1
[M]+ 383.22035 193.4
[M]- 383.22145 193.4
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