CID 489176

5,7-bis(dibutylamino)-2-methylquinolin-8-ol

Structural Information

Molecular Formula
C26H43N3O
SMILES
CCCCN(CCCC)C1=CC(=C(C2=C1C=CC(=N2)C)O)N(CCCC)CCCC
InChI
InChI=1S/C26H43N3O/c1-6-10-16-28(17-11-7-2)23-20-24(29(18-12-8-3)19-13-9-4)26(30)25-22(23)15-14-21(5)27-25/h14-15,20,30H,6-13,16-19H2,1-5H3
InChIKey
TYPLVAAKYYNWJO-UHFFFAOYSA-N
Compound name
5,7-bis(dibutylamino)-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.3406 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.34788 212.4
[M+Na]+ 436.32982 215.3
[M-H]- 412.33332 215.1
[M+NH4]+ 431.37442 223.2
[M+K]+ 452.30376 211.0
[M+H-H2O]+ 396.33786 202.2
[M+HCOO]- 458.33880 231.2
[M+CH3COO]- 472.35445 242.9
[M+Na-2H]- 434.31527 210.6
[M]+ 413.34005 219.6
[M]- 413.34115 219.6
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.