CID 40508

1-(diethylamino)methyl-2-methoxyanthracene hydrochloride

Structural Information

Molecular Formula
C20H23NO
SMILES
CCN(CC)CC1=C(C=CC2=CC3=CC=CC=C3C=C21)OC
InChI
InChI=1S/C20H23NO/c1-4-21(5-2)14-19-18-13-16-9-7-6-8-15(16)12-17(18)10-11-20(19)22-3/h6-13H,4-5,14H2,1-3H3
InChIKey
YIHHIXYFSZFCDU-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(2-methoxyanthracen-1-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.4
[M+Na]+ 316.16720 178.6
[M-H]- 292.17070 177.1
[M+NH4]+ 311.21180 188.7
[M+K]+ 332.14114 174.3
[M+H-H2O]+ 276.17524 162.0
[M+HCOO]- 338.17618 193.8
[M+CH3COO]- 352.19183 212.9
[M+Na-2H]- 314.15265 177.3
[M]+ 293.17743 175.9
[M]- 293.17853 175.9
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

No patent data available for this compound.