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

2
Patents

323.14005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 173.8
[M+Na]+ 346.12927 179.5
[M-H]- 322.13277 174.8
[M+NH4]+ 341.17387 187.4
[M+K]+ 362.10321 174.1
[M+H-H2O]+ 306.13731 166.2
[M+HCOO]- 368.13825 190.0
[M+CH3COO]- 382.15390 210.8
[M+Na-2H]- 344.11472 179.0
[M]+ 323.13950 177.4
[M]- 323.14060 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