CID 48120

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

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CCOC(=O)C1(C2=CC=CC=C2CC3=CC=CC=C31)C
InChI
InChI=1S/C22H27NO2/c1-4-23(5-2)14-15-25-21(24)22(3)19-12-8-6-10-17(19)16-18-11-7-9-13-20(18)22/h6-13H,4-5,14-16H2,1-3H3
InChIKey
OZANRYINUMABLL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9-methyl-10H-anthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 183.9
[M+Na]+ 360.19342 189.3
[M-H]- 336.19692 189.4
[M+NH4]+ 355.23802 201.7
[M+K]+ 376.16736 185.6
[M+H-H2O]+ 320.20146 175.4
[M+HCOO]- 382.20240 203.1
[M+CH3COO]- 396.21805 219.2
[M+Na-2H]- 358.17887 188.3
[M]+ 337.20365 187.1
[M]- 337.20475 187.1
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.