CID 203866

Rd 12869

Structural Information

Molecular Formula
C16H22ClN3
SMILES
CCN(CC)CCNC1=C(C=C(C2=C1C=CC=N2)C)Cl
InChI
InChI=1S/C16H22ClN3/c1-4-20(5-2)10-9-19-16-13-7-6-8-18-15(13)12(3)11-14(16)17/h6-8,11,19H,4-5,9-10H2,1-3H3
InChIKey
IJOHSTGWCOYEFR-UHFFFAOYSA-N
Compound name
N-(6-chloro-8-methylquinolin-5-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.15024 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15752 168.8
[M+Na]+ 314.13946 182.8
[M+NH4]+ 309.18406 177.9
[M+K]+ 330.11340 173.6
[M-H]- 290.14296 173.3
[M+Na-2H]- 312.12491 175.8
[M]+ 291.14969 172.5
[M]- 291.15079 172.5
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.