CID 380062

Nsc665363

Structural Information

Molecular Formula
C20H20ClN3
SMILES
C1=CC=C(C=C1)C=NCCCCNC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C20H20ClN3/c21-17-8-9-18-19(10-13-24-20(18)14-17)23-12-5-4-11-22-15-16-6-2-1-3-7-16/h1-3,6-10,13-15H,4-5,11-12H2,(H,23,24)
InChIKey
RIZOFCFQSDJSSP-UHFFFAOYSA-N
Compound name
N-[4-(benzylideneamino)butyl]-7-chloroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13458 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14186 180.1
[M+Na]+ 360.12380 187.2
[M-H]- 336.12730 186.4
[M+NH4]+ 355.16840 194.0
[M+K]+ 376.09774 179.3
[M+H-H2O]+ 320.13184 170.2
[M+HCOO]- 382.13278 199.9
[M+CH3COO]- 396.14843 190.4
[M+Na-2H]- 358.10925 187.4
[M]+ 337.13403 183.1
[M]- 337.13513 183.1
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.