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]+ 463.20564 221.5
[M+Na]+ 485.18758 227.6
[M-H]- 461.19108 236.2
[M+NH4]+ 480.23218 228.6
[M+K]+ 501.16152 218.2
[M+H-H2O]+ 445.19562 206.8
[M+HCOO]- 507.19656 240.4
[M+CH3COO]- 521.21221 229.0
[M+Na-2H]- 483.17303 223.2
[M]+ 462.19781 219.7
[M]- 462.19891 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.