CID 384381

Nsc674089

Structural Information

Molecular Formula
C38H36N6O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C38H36N6O2/c45-37(31-25-35(27-11-3-1-4-12-27)43-33-17-9-7-15-29(31)33)41-23-21-39-19-20-40-22-24-42-38(46)32-26-36(28-13-5-2-6-14-28)44-34-18-10-8-16-30(32)34/h1-18,25-26,39-40H,19-24H2,(H,41,45)(H,42,46)
InChIKey
ZTTZZTPTFFRXLO-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethylamino]ethyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.29 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.29728 239.7
[M+Na]+ 631.27922 240.3
[M-H]- 607.28272 248.8
[M+NH4]+ 626.32382 237.8
[M+K]+ 647.25316 231.8
[M+H-H2O]+ 591.28726 223.7
[M+HCOO]- 653.28820 257.7
[M+CH3COO]- 667.30385 242.6
[M+Na-2H]- 629.26467 246.6
[M]+ 608.28945 239.2
[M]- 608.29055 239.2
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.