CID 34029

9,10-dihydro-9-anthroic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)13-14-24-21(23)20-18-11-7-5-9-16(18)15-17-10-6-8-12-19(17)20/h5-12,20H,3-4,13-15H2,1-2H3
InChIKey
GVCNQJQTWOKUQI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9,10-dihydroanthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.4
[M+Na]+ 346.17776 191.4
[M+NH4]+ 341.22236 187.4
[M+K]+ 362.15170 182.6
[M-H]- 322.18126 182.8
[M+Na-2H]- 344.16321 184.3
[M]+ 323.18799 181.5
[M]- 323.18909 181.5
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.