CID 384130

Nsc673417

Structural Information

Molecular Formula
C35H32ClN5O2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C35H32ClN5O2/c1-43-25-13-15-31-29(21-25)34(27-14-12-24(36)20-33(27)41-31)38-19-18-37-16-7-17-39-35(42)28-22-32(23-8-3-2-4-9-23)40-30-11-6-5-10-26(28)30/h2-6,8-15,20-22,37H,7,16-19H2,1H3,(H,38,41)(H,39,42)
InChIKey
GEJSTEAMNUHCIV-UHFFFAOYSA-N
Compound name
N-[3-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.2244 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.23168 239.8
[M+Na]+ 612.21362 245.2
[M-H]- 588.21712 247.6
[M+NH4]+ 607.25822 241.9
[M+K]+ 628.18756 235.9
[M+H-H2O]+ 572.22166 224.9
[M+HCOO]- 634.22260 252.7
[M+CH3COO]- 648.23825 244.2
[M+Na-2H]- 610.19907 246.0
[M]+ 589.22385 245.2
[M]- 589.22495 245.2
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.