CID 374567

9,10-bis(4-methoxyphenyl)anthracene

Structural Information

Molecular Formula
C28H22O2
SMILES
COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H22O2/c1-29-21-15-11-19(12-16-21)27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)20-13-17-22(30-2)18-14-20/h3-18H,1-2H3
InChIKey
KTYCXBAOXVVIMM-UHFFFAOYSA-N
Compound name
9,10-bis(4-methoxyphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

225
Patents

390.162 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.169276 198.4
[M+Na]+ 413.151218 207.6
[M-H]- 389.154724 209.9
[M+NH4]+ 408.195823 211.1
[M+K]+ 429.125158 200.3
[M+H-H2O]+ 373.159260 186.6
[M+HCOO]- 435.160201 219.5
[M+CH3COO]- 449.175851 208.8
[M+Na-2H]- 411.136666 203.8
[M]+ 390.16145142 202.0
[M]- 390.16254858 202.0
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

patents stripe