CID 410610

Nsc30198

Structural Information

Molecular Formula
C26H28Cl2N4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Cl)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)Cl
InChI
InChI=1S/C26H28Cl2N4/c1-17-13-25(21-15-19(27)7-9-23(21)31-17)29-11-5-3-4-6-12-30-26-14-18(2)32-24-10-8-20(28)16-22(24)26/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
LNGRXHOOAJKGRJ-UHFFFAOYSA-N
Compound name
N,N'-bis(6-chloro-2-methylquinolin-4-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

466.1691 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17638 214.8
[M+Na]+ 489.15832 224.3
[M-H]- 465.16182 219.0
[M+NH4]+ 484.20292 223.7
[M+K]+ 505.13226 213.9
[M+H-H2O]+ 449.16636 203.7
[M+HCOO]- 511.16730 225.0
[M+CH3COO]- 525.18295 222.2
[M+Na-2H]- 487.14377 218.7
[M]+ 466.16855 222.2
[M]- 466.16965 222.2
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.