CID 13957290

Gnf-pf-3491

Structural Information

Molecular Formula
C15H20ClN3
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCCN
InChI
InChI=1S/C15H20ClN3/c16-12-5-6-13-14(7-10-19-15(13)11-12)18-9-4-2-1-3-8-17/h5-7,10-11H,1-4,8-9,17H2,(H,18,19)
InChIKey
MCNLIIMMRZOMFX-UHFFFAOYSA-N
Compound name
N'-(7-chloroquinolin-4-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

277.13458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14186 164.3
[M+Na]+ 300.12380 171.5
[M-H]- 276.12730 166.2
[M+NH4]+ 295.16840 180.5
[M+K]+ 316.09774 164.9
[M+H-H2O]+ 260.13184 156.9
[M+HCOO]- 322.13278 182.3
[M+CH3COO]- 336.14843 204.6
[M+Na-2H]- 298.10925 170.4
[M]+ 277.13403 166.1
[M]- 277.13513 166.1
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