CID 6306179

21373-60-4

Structural Information

Molecular Formula
C18H24ClN3
SMILES
CCN(CC)C/C=C/C(C)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C18H24ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,21)/b7-6+
InChIKey
RGILJHRZERHZFJ-VOTSOKGWSA-N
Compound name
(E)-4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpent-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16586 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17314 178.2
[M+Na]+ 340.15508 184.2
[M-H]- 316.15858 181.6
[M+NH4]+ 335.19968 193.5
[M+K]+ 356.12902 178.6
[M+H-H2O]+ 300.16312 170.1
[M+HCOO]- 362.16406 195.4
[M+CH3COO]- 376.17971 216.9
[M+Na-2H]- 338.14053 181.6
[M]+ 317.16531 181.9
[M]- 317.16641 181.9
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.