CID 384125

Nsc673413

Structural Information

Molecular Formula
C42H40N4O4
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C42H40N4O4/c47-41(35-21-12-23-39(49-29-31-14-4-1-5-15-31)40(35)50-30-32-16-6-2-7-17-32)45-27-26-43-24-13-25-44-42(48)36-28-38(33-18-8-3-9-19-33)46-37-22-11-10-20-34(36)37/h1-12,14-23,28,43H,13,24-27,29-30H2,(H,44,48)(H,45,47)
InChIKey
UCNZXNUTUSYGOE-UHFFFAOYSA-N
Compound name
N-[3-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.30493 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.31221 257.1
[M+Na]+ 687.29415 255.0
[M-H]- 663.29765 268.3
[M+NH4]+ 682.33875 252.6
[M+K]+ 703.26809 248.1
[M+H-H2O]+ 647.30219 239.9
[M+HCOO]- 709.30313 274.1
[M+CH3COO]- 723.31878 258.6
[M+Na-2H]- 685.27960 258.9
[M]+ 664.30438 257.2
[M]- 664.30548 257.2
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.