CID 50842

Acridan-9-carboxylic acid, 10-methyl-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2N(C3=CC=CC=C13)C
InChI
InChI=1S/C21H26N2O2/c1-4-23(5-2)14-15-25-21(24)20-16-10-6-8-12-18(16)22(3)19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3
InChIKey
GJHXTTZECGOJJP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.5
[M+Na]+ 361.18865 189.0
[M-H]- 337.19215 187.7
[M+NH4]+ 356.23325 198.0
[M+K]+ 377.16259 185.3
[M+H-H2O]+ 321.19669 174.0
[M+HCOO]- 383.19763 201.7
[M+CH3COO]- 397.21328 220.5
[M+Na-2H]- 359.17410 186.9
[M]+ 338.19888 187.0
[M]- 338.19998 187.0
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.