CID 46666

2-(diethylamino)ethyl 9-acridinecarboxylate hydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCN(CC)CCOC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H22N2O2/c1-3-22(4-2)13-14-24-20(23)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3
InChIKey
SSWLWLCEGPMYOU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl acridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.4
[M+Na]+ 345.15734 184.6
[M-H]- 321.16084 182.4
[M+NH4]+ 340.20194 192.6
[M+K]+ 361.13128 180.6
[M+H-H2O]+ 305.16538 167.9
[M+HCOO]- 367.16632 198.9
[M+CH3COO]- 381.18197 215.8
[M+Na-2H]- 343.14279 184.1
[M]+ 322.16757 183.0
[M]- 322.16867 183.0
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.