CID 148294

Icr 58

Structural Information

Molecular Formula
C17H23Cl2N3O
SMILES
COC1=CC2=C(C=CN=C2C=C1)NCCCN(CCCl)CCCl
InChI
InChI=1S/C17H23Cl2N3O/c1-23-14-3-4-16-15(13-14)17(5-9-21-16)20-8-2-10-22(11-6-18)12-7-19/h3-5,9,13H,2,6-8,10-12H2,1H3,(H,20,21)
InChIKey
YNXFPQGTHOVXKJ-UHFFFAOYSA-N
Compound name
N',N'-bis(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

355.12183 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12911 182.3
[M+Na]+ 378.11105 188.9
[M-H]- 354.11455 184.9
[M+NH4]+ 373.15565 196.4
[M+K]+ 394.08499 182.9
[M+H-H2O]+ 338.11909 174.5
[M+HCOO]- 400.12003 195.7
[M+CH3COO]- 414.13568 220.5
[M+Na-2H]- 376.09650 186.7
[M]+ 355.12128 189.6
[M]- 355.12238 189.6
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.