CID 227994

Nsc20514

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CCCCOCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C)O
InChI
InChI=1S/C20H29N3O2/c1-3-4-12-25-15-17-13-16(14-23-10-8-22(2)9-11-23)20(24)19-18(17)6-5-7-21-19/h5-7,13,24H,3-4,8-12,14-15H2,1-2H3
InChIKey
SOALJBSEAGNYKO-UHFFFAOYSA-N
Compound name
5-(butoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.22598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23326 188.1
[M+Na]+ 366.21520 193.3
[M-H]- 342.21870 188.9
[M+NH4]+ 361.25980 197.6
[M+K]+ 382.18914 187.5
[M+H-H2O]+ 326.22324 177.0
[M+HCOO]- 388.22418 200.4
[M+CH3COO]- 402.23983 212.9
[M+Na-2H]- 364.20065 189.5
[M]+ 343.22543 187.5
[M]- 343.22653 187.5
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

No patent data available for this compound.