CID 148292

Icr 180

Structural Information

Molecular Formula
C15H20ClN3O
SMILES
COC1=CC2=C(C=CN=C2C=C1)NCCCNCCCl
InChI
InChI=1S/C15H20ClN3O/c1-20-12-3-4-14-13(11-12)15(5-9-19-14)18-8-2-7-17-10-6-16/h3-5,9,11,17H,2,6-8,10H2,1H3,(H,18,19)
InChIKey
NGAPOUZHHOHCRE-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1295 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.136776 166.6
[M+Na]+ 316.118718 173.6
[M-H]- 292.122224 169.0
[M+NH4]+ 311.163323 182.3
[M+K]+ 332.092658 168.0
[M+H-H2O]+ 276.126760 158.9
[M+HCOO]- 338.127701 185.4
[M+CH3COO]- 352.143351 207.3
[M+Na-2H]- 314.104166 173.8
[M]+ 293.12895142 170.8
[M]- 293.13004858 170.8
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.