CID 122672

Didesethyl chloroquine

Structural Information

Molecular Formula
C14H18ClN3
SMILES
CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)
InChIKey
GYEDIFVVTRKXHP-UHFFFAOYSA-N
Compound name
4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

77
Patents

263.11893 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12621 160.4
[M+Na]+ 286.10815 167.8
[M-H]- 262.11165 162.6
[M+NH4]+ 281.15275 177.1
[M+K]+ 302.08209 162.0
[M+H-H2O]+ 246.11619 153.4
[M+HCOO]- 308.11713 177.8
[M+CH3COO]- 322.13278 202.5
[M+Na-2H]- 284.09360 165.9
[M]+ 263.11838 161.3
[M]- 263.11948 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe