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]+ 352.178636 183.3
[M+Na]+ 374.160578 187.9
[M-H]- 350.164084 184.0
[M+NH4]+ 369.205183 195.7
[M+K]+ 390.134518 182.6
[M+H-H2O]+ 334.168620 175.6
[M+HCOO]- 396.169561 197.9
[M+CH3COO]- 410.185211 217.6
[M+Na-2H]- 372.146026 186.3
[M]+ 351.17081142 187.0
[M]- 351.17190858 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