CID 489180

2-methyl-5,7-dipiperazinylquinolin-8-ol

Structural Information

Molecular Formula
C18H25N5O
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)N3CCNCC3)N4CCNCC4
InChI
InChI=1S/C18H25N5O/c1-13-2-3-14-15(22-8-4-19-5-9-22)12-16(18(24)17(14)21-13)23-10-6-20-7-11-23/h2-3,12,19-20,24H,4-11H2,1H3
InChIKey
HOARTQMHUVSQBL-UHFFFAOYSA-N
Compound name
2-methyl-5,7-di(piperazin-1-yl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.2059 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21318 185.5
[M+Na]+ 350.19512 189.3
[M-H]- 326.19862 183.7
[M+NH4]+ 345.23972 190.7
[M+K]+ 366.16906 180.8
[M+H-H2O]+ 310.20316 173.1
[M+HCOO]- 372.20410 189.6
[M+CH3COO]- 386.21975 190.2
[M+Na-2H]- 348.18057 186.3
[M]+ 327.20535 173.6
[M]- 327.20645 173.6
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.