CID 48122

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

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2C(C3=CC=CC=C13)C
InChI
InChI=1S/C22H27NO2/c1-4-23(5-2)14-15-25-22(24)21-19-12-8-6-10-17(19)16(3)18-11-7-9-13-20(18)21/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKey
UQZIGNJLFYNKIX-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 10-methyl-9,10-dihydroanthracene-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]+ 338.211476 183.4
[M+Na]+ 360.193418 188.6
[M-H]- 336.196924 189.0
[M+NH4]+ 355.238023 199.4
[M+K]+ 376.167358 184.8
[M+H-H2O]+ 320.201460 174.8
[M+HCOO]- 382.202401 202.6
[M+CH3COO]- 396.218051 220.9
[M+Na-2H]- 358.178866 186.2
[M]+ 337.20365142 186.7
[M]- 337.20474858 186.7
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.