CID 66553

Sontoquine

Structural Information

Molecular Formula
C19H28ClN3
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1C)Cl
InChI
InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-15(4)22-19-14(3)13-21-18-12-16(20)9-10-17(18)19/h9-10,12-13,15H,5-8,11H2,1-4H3,(H,21,22)
InChIKey
AFEAUYYSRPFHIA-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

268
Patents

333.19717 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20445 184.0
[M+Na]+ 356.18639 190.1
[M-H]- 332.18989 187.5
[M+NH4]+ 351.23099 198.9
[M+K]+ 372.16033 184.8
[M+H-H2O]+ 316.19443 175.8
[M+HCOO]- 378.19537 200.6
[M+CH3COO]- 392.21102 222.5
[M+Na-2H]- 354.17184 186.1
[M]+ 333.19662 189.2
[M]- 333.19772 189.2
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