CID 459636

4-(dibutylamino)-1-(6-methoxy-2-phenyl-4-quinolyl)butan-1-ol

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CCCCN(CCCC)CCCC(C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)O
InChI
InChI=1S/C28H38N2O2/c1-4-6-17-30(18-7-5-2)19-11-14-28(31)25-21-27(22-12-9-8-10-13-22)29-26-16-15-23(32-3)20-24(25)26/h8-10,12-13,15-16,20-21,28,31H,4-7,11,14,17-19H2,1-3H3
InChIKey
FTRBELCWWRILAO-UHFFFAOYSA-N
Compound name
4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.29333 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.30061 214.2
[M+Na]+ 457.28255 216.7
[M-H]- 433.28605 218.4
[M+NH4]+ 452.32715 222.6
[M+K]+ 473.25649 211.1
[M+H-H2O]+ 417.29059 202.7
[M+HCOO]- 479.29153 231.2
[M+CH3COO]- 493.30718 237.7
[M+Na-2H]- 455.26800 213.7
[M]+ 434.29278 218.9
[M]- 434.29388 218.9
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.