CID 245072

32571-50-9

Structural Information

Molecular Formula
C16H22ClN3O2
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCN(CCO)CCO
InChI
InChI=1S/C16H22ClN3O2/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20(8-10-21)9-11-22/h2-4,6,12,21-22H,1,5,7-11H2,(H,18,19)
InChIKey
ZUMSZBGPBCFEDO-UHFFFAOYSA-N
Compound name
2-[3-[(7-chloroquinolin-4-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.14005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.147326 173.8
[M+Na]+ 346.129268 179.5
[M-H]- 322.132774 174.8
[M+NH4]+ 341.173873 187.4
[M+K]+ 362.103208 174.1
[M+H-H2O]+ 306.137310 166.2
[M+HCOO]- 368.138251 190.0
[M+CH3COO]- 382.153901 210.8
[M+Na-2H]- 344.114716 179.0
[M]+ 323.13950142 177.4
[M]- 323.14059858 177.4
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

patents stripe