CID 368372

Nsc639234

Structural Information

Molecular Formula
C19H27N3O3S
SMILES
CCCCNCC1=CC(=C2C=CC=NC2=C1O)S(=O)(=O)N3CCCCC3
InChI
InChI=1S/C19H27N3O3S/c1-2-3-9-20-14-15-13-17(16-8-7-10-21-18(16)19(15)23)26(24,25)22-11-5-4-6-12-22/h7-8,10,13,20,23H,2-6,9,11-12,14H2,1H3
InChIKey
XUPVMCOPWIRESO-UHFFFAOYSA-N
Compound name
7-(butylaminomethyl)-5-piperidin-1-ylsulfonylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1773 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18458 188.2
[M+Na]+ 400.16652 192.9
[M-H]- 376.17002 190.3
[M+NH4]+ 395.21112 197.7
[M+K]+ 416.14046 186.8
[M+H-H2O]+ 360.17456 179.2
[M+HCOO]- 422.17550 197.5
[M+CH3COO]- 436.19115 216.0
[M+Na-2H]- 398.15197 191.0
[M]+ 377.17675 187.8
[M]- 377.17785 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.