CID 159670

Icr-174

Structural Information

Molecular Formula
C17H24ClN3O
SMILES
CCN(CCCNC1=C2C=C(C=CC2=NC=C1)OC)CCCl
InChI
InChI=1S/C17H24ClN3O/c1-3-21(12-8-18)11-4-9-19-17-7-10-20-16-6-5-14(22-2)13-15(16)17/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChIKey
MOHRHVKCOAPNBW-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N'-ethyl-N-(6-methoxyquinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16808 176.7
[M+Na]+ 344.15002 183.0
[M-H]- 320.15352 180.2
[M+NH4]+ 339.19462 191.9
[M+K]+ 360.12396 178.3
[M+H-H2O]+ 304.15806 168.4
[M+HCOO]- 366.15900 195.3
[M+CH3COO]- 380.17465 216.5
[M+Na-2H]- 342.13547 182.0
[M]+ 321.16025 182.9
[M]- 321.16135 182.9
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.