CID 18029

Clamoxyquine

Structural Information

Molecular Formula
C17H24ClN3O
SMILES
CCN(CC)CCCNCC1=CC(=C2C=CC=NC2=C1O)Cl
InChI
InChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3
InChIKey
HOFHLRCDGWSLHX-UHFFFAOYSA-N
Compound name
5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11194
References

251
Patents

321.1608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16808 177.1
[M+Na]+ 344.15002 183.9
[M-H]- 320.15352 179.6
[M+NH4]+ 339.19462 191.9
[M+K]+ 360.12396 178.4
[M+H-H2O]+ 304.15806 169.4
[M+HCOO]- 366.15900 194.2
[M+CH3COO]- 380.17465 215.3
[M+Na-2H]- 342.13547 181.2
[M]+ 321.16025 181.8
[M]- 321.16135 181.8
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