CID 489177

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

Structural Information

Molecular Formula
C34H59N3O
SMILES
CCCCCCN(CCCCCC)C1=CC(=C(C2=C1C=CC(=N2)C)O)N(CCCCCC)CCCCCC
InChI
InChI=1S/C34H59N3O/c1-6-10-14-18-24-36(25-19-15-11-7-2)31-28-32(34(38)33-30(31)23-22-29(5)35-33)37(26-20-16-12-8-3)27-21-17-13-9-4/h22-23,28,38H,6-21,24-27H2,1-5H3
InChIKey
CQLRDWGIFNZMPZ-UHFFFAOYSA-N
Compound name
5,7-bis(dihexylamino)-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

525.4658 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.47308 247.5
[M+Na]+ 548.45502 246.8
[M-H]- 524.45852 248.4
[M+NH4]+ 543.49962 253.5
[M+K]+ 564.42896 240.7
[M+H-H2O]+ 508.46306 235.6
[M+HCOO]- 570.46400 263.4
[M+CH3COO]- 584.47965 265.9
[M+Na-2H]- 546.44047 241.5
[M]+ 525.46525 257.3
[M]- 525.46635 257.3
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

No patent data available for this compound.