CID 6444963

4-quinolineamine, 7-chloro-n-(5-diethylaminopent-2-yl)-2-(5-nitro-2-furylvinyl)-, phosphate (1:3)

Structural Information

Molecular Formula
C24H29ClN4O3
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl
InChI
InChI=1S/C24H29ClN4O3/c1-4-28(5-2)14-6-7-17(3)26-23-16-19(27-22-15-18(25)8-12-21(22)23)9-10-20-11-13-24(32-20)29(30)31/h8-13,15-17H,4-7,14H2,1-3H3,(H,26,27)/b10-9+
InChIKey
LVBYOHZMGMXGTM-MDZDMXLPSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1928 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20008 217.7
[M+Na]+ 479.18202 222.0
[M-H]- 455.18552 225.1
[M+NH4]+ 474.22662 226.3
[M+K]+ 495.15596 213.0
[M+H-H2O]+ 439.19006 212.4
[M+HCOO]- 501.19100 236.1
[M+CH3COO]- 515.20665 235.7
[M+Na-2H]- 477.16747 219.5
[M]+ 456.19225 224.2
[M]- 456.19335 224.2
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.