CID 394039

Nsc697157

Structural Information

Molecular Formula
C34H34N4O6
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C6=CC=CC=C6C=C5)O
InChI
InChI=1S/C34H34N4O6/c39-33-25-13-9-7-11-23(25)17-19-27(33)41-21-31-37-35-29(43-31)15-5-3-1-2-4-6-16-30-36-38-32(44-30)22-42-28-20-18-24-12-8-10-14-26(24)34(28)40/h7-14,17-20,39-40H,1-6,15-16,21-22H2
InChIKey
OCKVEYOSIIGNBI-UHFFFAOYSA-N
Compound name
2-[[5-[8-[5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.24786 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.25514 240.7
[M+Na]+ 617.23708 247.4
[M-H]- 593.24058 249.8
[M+NH4]+ 612.28168 238.8
[M+K]+ 633.21102 242.3
[M+H-H2O]+ 577.24512 227.7
[M+HCOO]- 639.24606 254.1
[M+CH3COO]- 653.26171 246.0
[M+Na-2H]- 615.22253 239.4
[M]+ 594.24731 251.7
[M]- 594.24841 251.7
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.