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

literature stripe

Patent stripe

patents stripe