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
1
Annotation Hits

3
References

7541
Patents

266.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 160.2
[M+Na]+ 289.11990 171.0
[M-H]- 265.12340 166.5
[M+NH4]+ 284.16450 179.6
[M+K]+ 305.09384 166.5
[M+H-H2O]+ 249.12794 152.8
[M+HCOO]- 311.12888 183.1
[M+CH3COO]- 325.14453 202.0
[M+Na-2H]- 287.10535 167.9
[M]+ 266.13013 166.4
[M]- 266.13123 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