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]+ 302.222696 174.9
[M+Na]+ 324.204638 178.7
[M-H]- 300.208144 178.2
[M+NH4]+ 319.249243 189.6
[M+K]+ 340.178578 176.1
[M+H-H2O]+ 284.212680 165.6
[M+HCOO]- 346.213621 196.7
[M+CH3COO]- 360.229271 215.6
[M+Na-2H]- 322.190086 179.8
[M]+ 301.21487142 178.2
[M]- 301.21596858 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.