CID 384384

Nsc674091

Structural Information

Molecular Formula
C42H44N6O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C42H44N6O2/c49-41(35-29-39(31-15-3-1-4-16-31)47-37-21-9-7-19-33(35)37)45-27-13-25-43-23-11-12-24-44-26-14-28-46-42(50)36-30-40(32-17-5-2-6-18-32)48-38-22-10-8-20-34(36)38/h1-10,15-22,29-30,43-44H,11-14,23-28H2,(H,45,49)(H,46,50)
InChIKey
UKCDZDJZYKMPAA-UHFFFAOYSA-N
Compound name
2-phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.3526 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.35988 254.5
[M+Na]+ 687.34182 253.0
[M-H]- 663.34532 262.6
[M+NH4]+ 682.38642 250.1
[M+K]+ 703.31576 244.0
[M+H-H2O]+ 647.34986 237.6
[M+HCOO]- 709.35080 270.9
[M+CH3COO]- 723.36645 255.6
[M+Na-2H]- 685.32727 259.4
[M]+ 664.35205 254.9
[M]- 664.35315 254.9
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.