CID 2831980

82361-90-8

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

72
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 187.7
[M+Na]+ 382.15262 204.7
[M+NH4]+ 377.19722 195.7
[M+K]+ 398.12656 195.4
[M-H]- 358.15612 193.3
[M+Na-2H]- 380.13807 196.8
[M]+ 359.16285 191.9
[M]- 359.16395 191.9
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