CID 34029

9-anthroic acid, 9,10-dihydro-, 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]+ 324.195816 178.7
[M+Na]+ 346.177758 183.4
[M-H]- 322.181264 184.1
[M+NH4]+ 341.222363 195.0
[M+K]+ 362.151698 179.7
[M+H-H2O]+ 306.185800 170.0
[M+HCOO]- 368.186741 198.3
[M+CH3COO]- 382.202391 216.7
[M+Na-2H]- 344.163206 182.7
[M]+ 323.18799142 181.3
[M]- 323.18908858 181.3
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.