CID 434361

Nsc349051

Structural Information

Molecular Formula
C24H24Cl2N4
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C24H24Cl2N4/c25-17-5-7-19-21(9-13-29-23(19)15-17)27-11-3-1-2-4-12-28-22-10-14-30-24-16-18(26)6-8-20(22)24/h5-10,13-16H,1-4,11-12H2,(H,27,29)(H,28,30)
InChIKey
HHWIMTYEHYWKEK-UHFFFAOYSA-N
Compound name
N,N'-bis(7-chloroquinolin-4-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

438.13782 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14510 202.7
[M+Na]+ 461.12704 211.5
[M-H]- 437.13054 206.6
[M+NH4]+ 456.17164 212.3
[M+K]+ 477.10098 201.3
[M+H-H2O]+ 421.13508 191.8
[M+HCOO]- 483.13602 213.8
[M+CH3COO]- 497.15167 210.6
[M+Na-2H]- 459.11249 209.5
[M]+ 438.13727 208.9
[M]- 438.13837 208.9
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.