CID 114000

Quinoline, 2-((n-(diethylaminoethyl)-n-(2-hydroxyethyl)amino)methyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCN(CC)CCN(CCO)CC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H27N3O/c1-3-20(4-2)11-12-21(13-14-22)15-17-10-9-16-7-5-6-8-18(16)19-17/h5-10,22H,3-4,11-15H2,1-2H3
InChIKey
ONSYZAHOCHJGHK-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl-(quinolin-2-ylmethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 174.9
[M+Na]+ 324.20464 178.7
[M-H]- 300.20814 178.2
[M+NH4]+ 319.24924 189.6
[M+K]+ 340.17858 176.1
[M+H-H2O]+ 284.21268 165.6
[M+HCOO]- 346.21362 196.7
[M+CH3COO]- 360.22927 215.6
[M+Na-2H]- 322.19009 179.8
[M]+ 301.21487 178.2
[M]- 301.21597 178.2
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

No patent data available for this compound.