CID 129318684

4-((7-chloroquinolin-4-yl)amino)-n-ethyl-n-(2-hydroxyethyl)pentan-1-amine oxide;dihydrochloride

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 182.7
[M+Na]+ 374.16058 186.9
[M-H]- 350.16408 183.2
[M+NH4]+ 369.20518 194.9
[M+K]+ 390.13452 176.7
[M+H-H2O]+ 334.16862 180.2
[M+HCOO]- 396.16956 196.7
[M+CH3COO]- 410.18521 209.2
[M+Na-2H]- 372.14603 189.7
[M]+ 351.17081 183.9
[M]- 351.17191 183.9
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

patents stripe