CID 394548

Nsc698093

Structural Information

Molecular Formula
C34H26O6
SMILES
COC1=CC(=C(C2=CC=CC=C21)OC)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=C(C6=CC=CC=C6C(=C5)OC)OC
InChI
InChI=1S/C34H26O6/c1-37-27-17-25(33(39-3)23-15-9-5-11-19(23)27)29-30(32(36)22-14-8-7-13-21(22)31(29)35)26-18-28(38-2)20-12-6-10-16-24(20)34(26)40-4/h5-18H,1-4H3
InChIKey
MZUZDEWSUNVOOB-UHFFFAOYSA-N
Compound name
2,3-bis(1,4-dimethoxynaphthalen-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.1729 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.18018 234.9
[M+Na]+ 553.16212 244.3
[M-H]- 529.16562 247.3
[M+NH4]+ 548.20672 242.4
[M+K]+ 569.13606 239.3
[M+H-H2O]+ 513.17016 220.3
[M+HCOO]- 575.17110 251.8
[M+CH3COO]- 589.18675 242.8
[M+Na-2H]- 551.14757 235.6
[M]+ 530.17235 243.0
[M]- 530.17345 243.0
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.