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 169.9
[M+Na]+ 314.13946 177.7
[M-H]- 290.14296 174.0
[M+NH4]+ 309.18406 186.7
[M+K]+ 330.11340 172.6
[M+H-H2O]+ 274.14750 162.2
[M+HCOO]- 336.14844 188.6
[M+CH3COO]- 350.16409 212.7
[M+Na-2H]- 312.12491 174.9
[M]+ 291.14969 174.7
[M]- 291.15079 174.7
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