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

14
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.