CID 129318684

2725355-06-4

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
CC[N+](CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)(CCO)[O-]
InChI
InChI=1S/C18H26ClN3O2/c1-3-22(24,11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
OZFRZWJEVUVFPM-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-N-ethyl-N-(2-hydroxyethyl)pentan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.17136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 182.4
[M+Na]+ 374.16058 195.3
[M+NH4]+ 369.20518 190.0
[M+K]+ 390.13452 189.5
[M-H]- 350.16408 185.9
[M+Na-2H]- 372.14603 187.6
[M]+ 351.17081 185.5
[M]- 351.17191 185.5
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

patents stripe