CID 168984

4594-76-7

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
CC(CCCN(CCO)CCO)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C18H26ClN3O2/c1-14(3-2-8-22(9-11-23)10-12-24)21-17-6-7-20-18-13-15(19)4-5-16(17)18/h4-7,13-14,23-24H,2-3,8-12H2,1H3,(H,20,21)
InChIKey
BNKWSWSFHIYYKQ-UHFFFAOYSA-N
Compound name
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.17136 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 183.3
[M+Na]+ 374.16058 187.9
[M-H]- 350.16408 184.0
[M+NH4]+ 369.20518 195.7
[M+K]+ 390.13452 182.6
[M+H-H2O]+ 334.16862 175.6
[M+HCOO]- 396.16956 197.9
[M+CH3COO]- 410.18521 217.6
[M+Na-2H]- 372.14603 186.3
[M]+ 351.17081 187.0
[M]- 351.17191 187.0
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