CID 384387

Nsc674093

Structural Information

Molecular Formula
C40H38N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C40H38N4O2/c45-39(33-27-37(29-17-7-5-8-18-29)43-35-23-13-11-21-31(33)35)41-25-15-3-1-2-4-16-26-42-40(46)34-28-38(30-19-9-6-10-20-30)44-36-24-14-12-22-32(34)36/h5-14,17-24,27-28H,1-4,15-16,25-26H2,(H,41,45)(H,42,46)
InChIKey
ZFLISLRWWIBXEH-UHFFFAOYSA-N
Compound name
2-phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2995 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.30678 250.6
[M+Na]+ 629.28872 251.8
[M-H]- 605.29222 259.2
[M+NH4]+ 624.33332 249.1
[M+K]+ 645.26266 242.0
[M+H-H2O]+ 589.29676 233.8
[M+HCOO]- 651.29770 265.5
[M+CH3COO]- 665.31335 253.1
[M+Na-2H]- 627.27417 253.4
[M]+ 606.29895 251.2
[M]- 606.30005 251.2
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.