CID 2831980

N-butyl-2,2'-imino-di(8-quinolinol)

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CCCCN(C1=NC2=C(C=CC=C2O)C=C1)C3=NC4=C(C=CC=C4O)C=C3
InChI
InChI=1S/C22H21N3O2/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20/h4-13,26-27H,2-3,14H2,1H3
InChIKey
AWKZSNHJRJMXCN-UHFFFAOYSA-N
Compound name
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

359.1634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 186.6
[M+Na]+ 382.15262 194.9
[M-H]- 358.15612 191.3
[M+NH4]+ 377.19722 197.4
[M+K]+ 398.12656 188.2
[M+H-H2O]+ 342.16066 175.7
[M+HCOO]- 404.16160 204.9
[M+CH3COO]- 418.17725 196.0
[M+Na-2H]- 380.13807 193.7
[M]+ 359.16285 189.2
[M]- 359.16395 189.2
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.