CID 459704

4-[(7-chloro-4-quinolyl)amino]-2-[(dipentylamino)methyl]phenol

Structural Information

Molecular Formula
C26H34ClN3O
SMILES
CCCCCN(CCCCC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
InChI=1S/C26H34ClN3O/c1-3-5-7-15-30(16-8-6-4-2)19-20-17-22(10-12-26(20)31)29-24-13-14-28-25-18-21(27)9-11-23(24)25/h9-14,17-18,31H,3-8,15-16,19H2,1-2H3,(H,28,29)
InChIKey
WBLPZOSNDCYZSL-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-2-[(dipentylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.23904 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24632 211.8
[M+Na]+ 462.22826 216.7
[M-H]- 438.23176 216.5
[M+NH4]+ 457.27286 221.3
[M+K]+ 478.20220 208.8
[M+H-H2O]+ 422.23630 201.4
[M+HCOO]- 484.23724 227.0
[M+CH3COO]- 498.25289 238.7
[M+Na-2H]- 460.21371 213.0
[M]+ 439.23849 217.4
[M]- 439.23959 217.4
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.