CID 121043

C.i. 433

Structural Information

Molecular Formula
C18H26ClN3O
SMILES
CCN(CC)CCCNCCC1=CC(=C2C=CC=NC2=C1O)Cl
InChI
InChI=1S/C18H26ClN3O/c1-3-22(4-2)12-6-9-20-11-8-14-13-16(19)15-7-5-10-21-17(15)18(14)23/h5,7,10,13,20,23H,3-4,6,8-9,11-12H2,1-2H3
InChIKey
FAVWOJLESGWTFK-UHFFFAOYSA-N
Compound name
5-chloro-7-[2-[3-(diethylamino)propylamino]ethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.17645 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18373 181.6
[M+Na]+ 358.16567 188.0
[M-H]- 334.16917 183.9
[M+NH4]+ 353.21027 195.8
[M+K]+ 374.13961 182.3
[M+H-H2O]+ 318.17371 173.7
[M+HCOO]- 380.17465 198.4
[M+CH3COO]- 394.19030 218.2
[M+Na-2H]- 356.15112 185.2
[M]+ 335.17590 186.7
[M]- 335.17700 186.7
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