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]+ 294.13678 166.6
[M+Na]+ 316.11872 173.6
[M-H]- 292.12222 169.0
[M+NH4]+ 311.16332 182.3
[M+K]+ 332.09266 168.0
[M+H-H2O]+ 276.12676 158.9
[M+HCOO]- 338.12770 185.4
[M+CH3COO]- 352.14335 207.3
[M+Na-2H]- 314.10417 173.8
[M]+ 293.12895 170.8
[M]- 293.13005 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.