CID 3489756

6-methoxy-1,2,3,4-tetraphenylnaphthalene

Structural Information

Molecular Formula
C35H26O
SMILES
COC1=CC2=C(C=C1)C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H26O/c1-36-29-22-23-30-31(24-29)33(26-16-8-3-9-17-26)35(28-20-12-5-13-21-28)34(27-18-10-4-11-19-27)32(30)25-14-6-2-7-15-25/h2-24H,1H3
InChIKey
PPTUZRQFYVZUQF-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3,4-tetraphenylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.19836 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.205636 221.5
[M+Na]+ 485.187578 227.6
[M-H]- 461.191084 236.2
[M+NH4]+ 480.232183 228.6
[M+K]+ 501.161518 218.2
[M+H-H2O]+ 445.195620 206.8
[M+HCOO]- 507.196561 240.4
[M+CH3COO]- 521.212211 229.0
[M+Na-2H]- 483.173026 223.2
[M]+ 462.19781142 219.7
[M]- 462.19890858 219.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.