CID 208605

Sn 14477

Structural Information

Molecular Formula
C19H26ClN3
SMILES
CCN(CC)C1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C19H26ClN3/c1-3-23(4-2)16-8-6-15(7-9-16)22-18-11-12-21-19-13-14(20)5-10-17(18)19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,21,22)
InChIKey
JLAYDKVSQLVTNK-UHFFFAOYSA-N
Compound name
1-N-(7-chloroquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

331.18152 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18880 180.3
[M+Na]+ 354.17074 193.9
[M+NH4]+ 349.21534 189.9
[M+K]+ 370.14468 184.1
[M-H]- 330.17424 187.0
[M+Na-2H]- 352.15619 188.0
[M]+ 331.18097 184.5
[M]- 331.18207 184.5
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