CID 16075553

918907-57-0

Structural Information

Molecular Formula
C23H24N4O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CNCCCNCC3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C23H24N4O2/c28-20-8-6-16(18-4-1-12-26-22(18)20)14-24-10-3-11-25-15-17-7-9-21(29)23-19(17)5-2-13-27-23/h1-2,4-9,12-13,24-25,28-29H,3,10-11,14-15H2
InChIKey
HUMSZQCAIUEDCY-UHFFFAOYSA-N
Compound name
5-[[3-[(8-hydroxyquinolin-5-yl)methylamino]propylamino]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

388.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 191.0
[M+Na]+ 411.17912 197.9
[M-H]- 387.18262 194.1
[M+NH4]+ 406.22372 199.7
[M+K]+ 427.15306 189.9
[M+H-H2O]+ 371.18716 180.0
[M+HCOO]- 433.18810 209.6
[M+CH3COO]- 447.20375 199.0
[M+Na-2H]- 409.16457 199.5
[M]+ 388.18935 192.3
[M]- 388.19045 192.3
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