CID 15475792

9,10-diethoxy-2-ethylanthracene

Structural Information

Molecular Formula
C20H22O2
SMILES
CCC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)OCC)OCC
InChI
InChI=1S/C20H22O2/c1-4-14-11-12-17-18(13-14)20(22-6-3)16-10-8-7-9-15(16)19(17)21-5-2/h7-13H,4-6H2,1-3H3
InChIKey
FUWFDADDJOUNDL-UHFFFAOYSA-N
Compound name
9,10-diethoxy-2-ethylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4657
Patents

294.162 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 169.8
[M+Na]+ 317.15122 179.7
[M-H]- 293.15472 175.7
[M+NH4]+ 312.19582 188.1
[M+K]+ 333.12516 174.8
[M+H-H2O]+ 277.15926 162.0
[M+HCOO]- 339.16020 192.0
[M+CH3COO]- 353.17585 207.9
[M+Na-2H]- 315.13667 176.4
[M]+ 294.16145 176.7
[M]- 294.16255 176.7
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

patents stripe