CID 339297

Nsc365363

Structural Information

Molecular Formula
C27H41N7O5
SMILES
C1CN(CCN1CCO)C2=CC(=O)C3=C(C2=O)C(=CC(=N3)N4CCN(CC4)CCO)N5CCN(CC5)CCO
InChI
InChI=1S/C27H41N7O5/c35-16-13-29-1-7-32(8-2-29)21-20-24(34-11-5-31(6-12-34)15-18-37)28-26-23(38)19-22(27(39)25(21)26)33-9-3-30(4-10-33)14-17-36/h19-20,35-37H,1-18H2
InChIKey
VAOKSSFDPHRPEG-UHFFFAOYSA-N
Compound name
2,4,6-tris[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.3169 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.32418 241.9
[M+Na]+ 566.30612 241.5
[M-H]- 542.30962 239.3
[M+NH4]+ 561.35072 234.7
[M+K]+ 582.28006 233.1
[M+H-H2O]+ 526.31416 225.9
[M+HCOO]- 588.31510 236.2
[M+CH3COO]- 602.33075 240.2
[M+Na-2H]- 564.29157 234.1
[M]+ 543.31635 231.4
[M]- 543.31745 231.4
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.