CID 736188

2-ethyl-9,10-dimethoxyanthracene

Structural Information

Molecular Formula
C18H18O2
SMILES
CCC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)OC)OC
InChI
InChI=1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3
InChIKey
SURWYRGVICLUBJ-UHFFFAOYSA-N
Compound name
2-ethyl-9,10-dimethoxyanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5589
Patents

266.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 160.2
[M+Na]+ 289.119898 171.0
[M-H]- 265.123404 166.5
[M+NH4]+ 284.164503 179.6
[M+K]+ 305.093838 166.5
[M+H-H2O]+ 249.127940 152.8
[M+HCOO]- 311.128881 183.1
[M+CH3COO]- 325.144531 202.0
[M+Na-2H]- 287.105346 167.9
[M]+ 266.13013142 166.4
[M]- 266.13122858 166.4
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