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

3289
Patents

294.162 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.169276 169.8
[M+Na]+ 317.151218 179.7
[M-H]- 293.154724 175.7
[M+NH4]+ 312.195823 188.1
[M+K]+ 333.125158 174.8
[M+H-H2O]+ 277.159260 162.0
[M+HCOO]- 339.160201 192.0
[M+CH3COO]- 353.175851 207.9
[M+Na-2H]- 315.136666 176.4
[M]+ 294.16145142 176.7
[M]- 294.16254858 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